QuartataWeb 1.0

27 known interactions (drugs) of input target (CACNA1S): Voltage-dependent L-type calcium channel subunit alpha-1S

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	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
2	Approved; Investigational	SmallMoleculeDrug	DB09236	Lacidipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC
3	Approved; Investigational	SmallMoleculeDrug	DB09231	Benidipine	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1
4	Approved; Investigational	SmallMoleculeDrug	DB06712	Nilvadipine	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N
5	Investigational; Withdrawn	SmallMoleculeDrug	DB01388	Mibefradil	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
6	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00653	Magnesium sulfate	[Mg++].[O-]S([O-])(=O)=O
7	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA
8	Approved	SmallMoleculeDrug	DB00898	Ethanol	CCO
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
10	Approved; Investigational	SmallMoleculeDrug	DB00393	Nimodipine	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C
11	Approved; Investigational	SmallMoleculeDrug	DB04920	Clevidipine	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC
12	Approved; Investigational	SmallMoleculeDrug	DB09238	Manidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
13	Approved	SmallMoleculeDrug	DB09090	Pinaverium	COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1
14	Approved; Investigational	SmallMoleculeDrug	DB01023	Felodipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC
15	Approved; Investigational	SmallMoleculeDrug	DB00270	Isradipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
16	Approved	SmallMoleculeDrug	DB00381	Amlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC
17	Approved; Investigational	SmallMoleculeDrug	DB09232	Cilnidipine	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1
18	Approved; Investigational	SmallMoleculeDrug	DB09229	Aranidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O
19	Approved	SmallMoleculeDrug	DB04855	Dronedarone	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2
20	Approved; Experimental	SmallMoleculeDrug	DB13746	Bioallethrin	NA
21	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1
22	Approved	SmallMoleculeDrug	DB00825	Menthol	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
23	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1
24	Approved	SmallMoleculeDrug	DB00401	Nisoldipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C
25	Approved; Investigational	SmallMoleculeDrug	DB00568	Cinnarizine	C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
26	Approved; Investigational	SmallMoleculeDrug	DB01054	Nitrendipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC
27	Approved	SmallMoleculeDrug	DB01115	Nifedipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC

20 predicted interactions (drugs) of input target (CACNA1S): Voltage-dependent L-type calcium channel subunit alpha-1S

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB00622	Nicardipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1	75.1%
2	Approved	SmallMoleculeDrug	DB00308	Ibutilide	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1	67.5%
3	Approved; Investigational	SmallMoleculeDrug	DB09235	Efonidipine	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1	61.3%
4	Approved; Investigational	SmallMoleculeDrug	DB11633	Isavuconazole	[H][C@](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	55.7%
5	Approved; Investigational	SmallMoleculeDrug	DB12278	Propiverine	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1	54.0%
6	Approved	SmallMoleculeDrug	DB09227	Barnidipine	COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1	52.4%
7	Approved; Withdrawn	SmallMoleculeDrug	DB01244	Bepridil	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1	52.0%
8	Approved; Investigational	SmallMoleculeDrug	DB09230	Azelnidipine	CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1	50.9%
9	Approved; Investigational	SmallMoleculeDrug	DB09237	Levamlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC	49.6%
10	Approved; Investigational	SmallMoleculeDrug	DB06751	Drotaverine	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1	48.0%
11	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]	47.2%
12	Approved; Investigational	SmallMoleculeDrug	DB00996	Gabapentin	NCC1(CC(O)=O)CCCCC1	46.8%
13	Approved	SmallMoleculeDrug	DB04841	Flunarizine	FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1	45.6%
14	Approved; Investigational	SmallMoleculeDrug	DB08872	Gabapentin Enacarbil	CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1	45.0%
15	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	35.2%
16	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01110	Miconazole	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1	34.1%
17	Experimental; Investigational	BiotechDrug	DB14009	Medical Cannabis	NA	33.3%
18	Approved; Investigational	SmallMoleculeDrug	DB01069	Promethazine	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C	31.6%
19	Approved; Investigational	SmallMoleculeDrug	DB09061	Cannabidiol	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1	31.2%
20	Approved	SmallMoleculeDrug	DB00617	Paramethadione	CCC1(C)OC(=O)N(C)C1=O	30.4%