QuartataWeb 1.0

59 known interactions (drugs) of input target (ACHE): Acetylcholinesterase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB01122	Ambenonium	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl
2	Approved; Investigational	SmallMoleculeDrug	DB00989	Rivastigmine	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
3	Experimental	SmallMoleculeDrug	DB03005	3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium	NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2
4	Approved	SmallMoleculeDrug	DB01245	Decamethonium	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
5	Experimental	SmallMoleculeDrug	DB01805	Monoisopropylphosphorylserine	[H][C@](N)(COP(O)(=O)OC(C)C)C(O)=O
6	Approved; Investigational	SmallMoleculeDrug	DB00981	Physostigmine	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C
7	Experimental	SmallMoleculeDrug	DB08615	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM	CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1
8	Approved	SmallMoleculeDrug	DB00449	Dipivefrin	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1
9	Experimental	SmallMoleculeDrug	DB04616	TACRINE(8)-4-AMINOQUINOLINE	C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12
10	Experimental	SmallMoleculeDrug	DB02404	1-Deoxy-1-Thio-Heptaethylene Glycol	OCCOCCOCCOCCOCCOCCOCCS
11	Experimental	SmallMoleculeDrug	DB02825	Methylphosphonic Acid Ester Group	CP([O-])=O
12	Experimental	SmallMoleculeDrug	DB04556	3-[(1s)-1-(Dimethylamino)Ethyl]Phenol	[H][C@@](C)(N(C)C)C1=CC(O)=CC=C1
13	Approved	SmallMoleculeDrug	DB00843	Donepezil	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1
14	Approved; Nutraceutical	SmallMoleculeDrug	DB00122	Choline	C[N+](C)(C)CCO
15	Investigational	SmallMoleculeDrug	DB04892	Phenserine	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C
16	Experimental	SmallMoleculeDrug	DB08357	1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE	CCOCCOCCOCC
17	Experimental	SmallMoleculeDrug	DB02673	(4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium	[H][C@]12C[C@@]([H])(O)C=C[C@]11CCN(CCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C=C3C=CC(=[O+]C)C(O2)=C13
18	Experimental	SmallMoleculeDrug	DB04114	3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine	[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2
19	Approved	SmallMoleculeDrug	DB00944	Demecarium	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
20	Approved	SmallMoleculeDrug	DB00805	Minaprine	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1
21	Approved; Investigational	SmallMoleculeDrug	DB00545	Pyridostigmine	CN(C)C(=O)OC1=C[N+](C)=CC=C1
22	Experimental	SmallMoleculeDrug	DB07701	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE	[H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O
23	Investigational; Withdrawn	SmallMoleculeDrug	DB00382	Tacrine	NC1=C2CCCCC2=NC2=CC=CC=C12
24	Experimental	SmallMoleculeDrug	DB04615	(S)-tacrine(10)-hupyridone	O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12
25	Experimental	SmallMoleculeDrug	DB07555	Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium	[H][C@](OCC[As+](C)(C)C)(C1=CC=CC=C1[N+](O)=O)C(F)(F)F
26	Experimental; Investigational	SmallMoleculeDrug	DB08167	Methylthioninium	CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C
27	Approved	SmallMoleculeDrug	DB00411	Carbachol	C[N+](C)(C)CCOC(N)=O
28	Approved	SmallMoleculeDrug	DB03128	Acetylcholine	CC(=O)OCC[N+](C)(C)C
29	Experimental	SmallMoleculeDrug	DB07756	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL	CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1
30	Approved	SmallMoleculeDrug	DB01010	Edrophonium	CC[N+](C)(C)C1=CC(O)=CC=C1
31	Approved	SmallMoleculeDrug	DB01199	Tubocurarine	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3
32	Approved	SmallMoleculeDrug	DB13503	Tyrothricin	NA
33	Experimental	SmallMoleculeDrug	DB02343	3,6,9,12,15-Pentaoxaheptadecane	CCOCCOCCOCCOCCOCC
34	Experimental	SmallMoleculeDrug	DB02166	Propidium	CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2
35	Approved; Investigational	SmallMoleculeDrug	DB04864	Huperzine A	[H][C@@]12CC3=C(C=CC(=O)N3)[C@@](N)(CC(C)=C1)\C2=C\C
36	Approved	SmallMoleculeDrug	DB00674	Galantamine	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3
37	Approved; Vet approved	SmallMoleculeDrug	DB01400	Neostigmine	CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C
38	Approved	SmallMoleculeDrug	DB00483	Gallamine Triethiodide	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC
39	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1
40	Approved; Nutraceutical	SmallMoleculeDrug	DB14006	Choline salicylate	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O
41	Experimental	SmallMoleculeDrug	DB03359	M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene	C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F
42	Experimental	SmallMoleculeDrug	DB02226	3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium	NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1
43	Investigational	SmallMoleculeDrug	DB04859	Zanapezil	O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1
44	Approved	SmallMoleculeDrug	DB01364	Ephedrine	CN[C@@H](C)[C@H](O)C1=CC=CC=C1
45	Investigational	SmallMoleculeDrug	DB06525	Ganstigmine	CCC1=CC=CC=C1NC(=O)OC1=CC=C2N(C)[C@H]3ON(C)CC[C@@]3(C)C2=C1
46	Experimental	SmallMoleculeDrug	DB04617	(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM	[NH3+]CCCCCCCCNC1=C2CCCCC2=[NH+]C2=CC=CC=C12
47	Experimental	SmallMoleculeDrug	DB04614	(R)-tacrine(10)-hupyridone	O=C1NC2=C(C=C1)[C@@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12
48	Approved; Investigational	SmallMoleculeDrug	DB05510	Huperzine-A	NA
49	Experimental	SmallMoleculeDrug	DB04021	MF268	[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1
50	Investigational	SmallMoleculeDrug	DB03348	Huperzine B	[H][C@@]12CC3=C(C=CC(O)=N3)[C@]3(CC(C)=C1)NCCC[C@]23[H]
51	Approved; Withdrawn	SmallMoleculeDrug	DB08996	Dimetacrine	CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12
52	Experimental	SmallMoleculeDrug	DB02845	Methylphosphinic Acid	CP(O)=O
53	Experimental	SmallMoleculeDrug	DB03740	N-acetyl-alpha-D-glucosamine	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(C)O
54	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00677	Isoflurophate	CC(C)OP(F)(=O)OC(C)C
55	Approved; Vet approved	SmallMoleculeDrug	DB00733	Pralidoxime	C[N+]1=C(\C=N\O)C=CC=C1
56	Experimental	SmallMoleculeDrug	DB03283	beta-L-fucose	C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
57	Approved	SmallMoleculeDrug	DB00863	Ranitidine	CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
58	Experimental	SmallMoleculeDrug	DB07846	1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE	CCC1=CC=CC=C1N=C(O)OC1=CC2=C(C=C1)N(C)C1C2(C)CCN1(C)=O
59	Approved; Investigational	SmallMoleculeDrug	DB01233	Metoclopramide	CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC

20 predicted interactions (drugs) of input target (ACHE): Acetylcholinesterase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB01226	Mivacurium	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC	63.2%
2	Experimental	SmallMoleculeDrug	DB04447	1,4-Dithiothreitol	O[C@@H](CS)[C@@H](O)CS	48.1%
3	Approved; Vet approved	SmallMoleculeDrug	DB01221	Ketamine	CNC1(CCCCC1=O)C1=CC=CC=C1Cl	47.6%
4	Approved	SmallMoleculeDrug	DB00514	Dextromethorphan	[H][C@]12CC3=C(C=C(OC)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C	46.8%
5	Approved; Investigational	SmallMoleculeDrug	DB09061	Cannabidiol	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1	44.0%
6	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00721	Procaine	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1	42.9%
7	Experimental	SmallMoleculeDrug	DB08201	(1S)-menthyl hexyl phosphonate group	CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	42.5%
8	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC	42.4%
9	Approved	SmallMoleculeDrug	DB00661	Verapamil	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1	40.7%
10	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00604	Cisapride	CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC	39.7%
11	Experimental	SmallMoleculeDrug	DB08658	ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE	CCO[P@](O)(=O)N(CC)CC	38.3%
12	Experimental	SmallMoleculeDrug	DB07940	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1	37.8%
13	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB09225	Zotepine	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12	37.2%
14	Investigational	SmallMoleculeDrug	DB03106	scyllo-inositol	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	37.0%
15	Approved; Investigational	SmallMoleculeDrug	DB00555	Lamotrigine	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1	37.0%
16	Approved; Investigational	SmallMoleculeDrug	DB01238	Aripiprazole	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl	36.1%
17	Approved; Investigational	SmallMoleculeDrug	DB06148	Mianserin	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21	36.0%
18	Approved; Investigational	SmallMoleculeDrug	DB00772	Malathion	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC	35.8%
19	Approved	SmallMoleculeDrug	DB00421	Spironolactone	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O	35.5%
20	Approved; Investigational	SmallMoleculeDrug	DB01118	Amiodarone	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2	35.4%