QuartataWeb 1.0

28 known interactions (drugs) of input target (PDE4B): cAMP-specific 3',5'-cyclic phosphodiesterase 4B

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB01791	Piclamilast	COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl
2	Experimental	SmallMoleculeDrug	DB02660	Filaminast	COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O
3	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O
4	Approved; Investigational	SmallMoleculeDrug	DB00824	Enprofylline	CCCN1C2=C(NC=N2)C(=O)NC1=O
5	Approved	SmallMoleculeDrug	DB00651	Dyphylline	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O
6	Approved; Investigational	SmallMoleculeDrug	DB01088	Iloprost	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
7	Approved; Investigational	SmallMoleculeDrug	DB05219	Crisaborole	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2
8	Experimental	SmallMoleculeDrug	DB08299	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid	OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1
9	Experimental	SmallMoleculeDrug	DB04149	(R)-Rolipram	[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1
10	Approved	SmallMoleculeDrug	DB01427	Amrinone	NC1=CC(=CNC1=O)C1=CC=NC=C1
11	Experimental	SmallMoleculeDrug	DB01959	3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester	CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O
12	Experimental	SmallMoleculeDrug	DB06909	1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide	CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1
13	Investigational	SmallMoleculeDrug	DB03849	Cilomilast	[H][C@@]1(CC[C@](CC1)(C#N)C1=CC(OC2CCCC2)=C(OC)C=C1)C(O)=O
14	Approved; Investigational	SmallMoleculeDrug	DB05266	Ibudilast	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C
15	Experimental	SmallMoleculeDrug	DB03606	(S)-Rolipram	[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1
16	Approved; Investigational	SmallMoleculeDrug	DB01412	Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C
17	Experimental	SmallMoleculeDrug	DB03349	8-Bromo-Adenosine-5'-Monophosphate	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
18	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
19	Investigational	SmallMoleculeDrug	DB01954	Rolipram	COC1=C(OC2CCCC2)C=C(C=C1)C1CN=C(O)C1
20	Approved; Investigational	SmallMoleculeDrug	DB01113	Papaverine	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
21	Approved; Investigational	SmallMoleculeDrug	DB00806	Pentoxifylline	CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C
22	Experimental	SmallMoleculeDrug	DB04530	S,S-(2-Hydroxyethyl)Thiocysteine	N[C@@H](CSSCCO)C(O)=O
23	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
24	Experimental	SmallMoleculeDrug	DB01647	Daxalipram	CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1
25	Approved; Investigational	SmallMoleculeDrug	DB05676	Apremilast	[H][C@](CS(C)(=O)=O)(N1C(=O)C2=C(C1=O)C(=CC=C2)N=C(C)O)C1=CC(OCC)=C(OC)C=C1
26	Approved	SmallMoleculeDrug	DB01656	Roflumilast	FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl
27	Experimental	SmallMoleculeDrug	DB03807	1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester	CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1
28	Approved	SmallMoleculeDrug	DB09283	Trapidil	CCN(CC)C1=CC(C)=NC2=NC=NN12

20 predicted interactions (drugs) of input target (PDE4B): cAMP-specific 3',5'-cyclic phosphodiesterase 4B

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB06842	(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one	[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1	58.0%
2	Investigational	SmallMoleculeDrug	DB06479	Propentofylline	CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C	56.2%
3	Approved	SmallMoleculeDrug	DB01303	Oxtriphylline	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O	52.7%
4	Approved	SmallMoleculeDrug	DB00975	Dipyridamole	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1	47.6%
5	Investigational	SmallMoleculeDrug	DB06246	Exisulind	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O	46.8%
6	Experimental	SmallMoleculeDrug	DB07954	3-isobutyl-1-methyl-7H-xanthine	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O	46.8%
7	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	45.6%
8	Investigational	SmallMoleculeDrug	DB05298	Tetomilast	CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O	44.8%
9	Experimental	SmallMoleculeDrug	DB02918	6-(4-Difluoromethoxy-3-Methoxy-Phenyl)-2h-Pyridazin-3-One	COC1=C(OC(F)F)C=CC(=C1)C1=NNC(=O)C=C1	44.5%
10	Investigational	SmallMoleculeDrug	DB05876	PDE4	NA	44.3%
11	Approved	SmallMoleculeDrug	DB08811	Tofisopam	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1	44.3%
12	Experimental	SmallMoleculeDrug	DB03183	1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester	CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1	44.0%
13	Experimental	SmallMoleculeDrug	DB04469	1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester	CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1	42.0%
14	Experimental	SmallMoleculeDrug	DB07051	3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1	39.9%
15	Experimental	SmallMoleculeDrug	DB02676	2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol	OCC(CO)(CO)NCCCNC(CO)(CO)CO	36.9%
16	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	36.5%
17	Experimental; Investigational	SmallMoleculeDrug	DB03366	Imidazole	N1C=CN=C1	35.4%
18	Approved; Investigational	SmallMoleculeDrug	DB06751	Drotaverine	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1	34.9%
19	Experimental	SmallMoleculeDrug	DB01972	Guanosine-5'-Monophosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	33.3%
20	Experimental	SmallMoleculeDrug	DB04271	3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester	CCOC(=O)C1=C(C)NN=C1C	32.8%