Compound Detail

CHEMBL1221

SULCONAZOLE

💊 Approved Drug

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💊 Approved Drug

Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1221
Name	SULCONAZOLE
Phase	Approved
Structure Type	MOL
InChI Key	AFNXATANNDIXLG-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

Sulconazol Sulconazole

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

397.8

MW (Da)

6.52

ALogP

HBA

HBD

17.8

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1985
Availability	Prescription
Chirality	Racemic

Routes of Administration

Topical

Flags

Natural Product

USAN Stem	-conazole
USAN Year	1977

Extended Properties

Molecular Formula	C18H15Cl3N2S
MW	397.76
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-1.29

ATC Classification

D01AC09

sulconazole

Level 1: DERMATOLOGICALS

Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE

Activity Summary

IC50 35 meas. best 7.8

Ki 18 meas. best 7.12

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cytochrome P450 2C19 CHEMBL3622	IC50	7.8	7.8	16.0	1
Cytochrome P450 3A4 CHEMBL340	IC50	7.16	7.16	70.0	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	7.12	7.12	75.0	1
Sodium-dependent serotonin transporter CHEMBL228	IC50	6.85	6.85	141.0	1
Thromboxane-A synthase CHEMBL1835	IC50	6.74	6.74	183.0	1
Cytochrome P450 2C9 CHEMBL3397	IC50	6.7	6.7	200.0	1
Muscarinic acetylcholine receptor M4 CHEMBL1821	Ki	6.26	6.26	552.0	1
Cytochrome P450 1A2 CHEMBL3356	IC50	6.22	6.22	600.0	1
Alpha-2C adrenergic receptor CHEMBL1916	Ki	6.14	6.14	717.0	1
Muscarinic acetylcholine receptor M3 CHEMBL245	Ki	6.14	6.14	721.0	1
Cytochrome P450 2D6 CHEMBL289	IC50	6.1	6.1	800.0	1
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	6.05	6.05	885.0	1
D(3) dopamine receptor CHEMBL234	Ki	5.98	5.98	1054.0	1
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	5.95	5.95	1122.0	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	5.86	5.86	1371.0	1
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	5.84	5.84	1459.0	1
Adenosine receptor A3 CHEMBL256	Ki	5.83	5.83	1485.0	1
Alpha-2A adrenergic receptor CHEMBL1867	Ki	5.82	5.82	1516.0	1
Unchecked CHEMBL612545	Ki	5.81	5.775	1560.0	2
Alpha-2B adrenergic receptor CHEMBL1942	Ki	5.79	5.79	1636.0	1
Substance-K receptor CHEMBL2327	Ki	5.78	5.78	1653.0	1
Sodium-dependent dopamine transporter CHEMBL238	IC50	5.76	5.76	1726.0	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	Ki	5.73	5.73	1873.0	1
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	5.72	5.72	1922.0	1
Unchecked CHEMBL612545	IC50	5.7	5.66	1988.0	2
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	5.7	5.7	2010.0	1
Sodium-dependent noradrenaline transporter CHEMBL222	IC50	5.69	5.69	2027.0	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	IC50	5.58	5.58	2607.0	1
Adenosine receptor A3 CHEMBL256	IC50	5.58	5.58	2628.0	1
5-hydroxytryptamine receptor 2C CHEMBL225	IC50	5.55	5.55	2785.0	1
5-hydroxytryptamine receptor 2B CHEMBL1833	IC50	5.52	5.52	3020.0	1
D(3) dopamine receptor CHEMBL234	IC50	5.51	5.51	3104.0	1
Muscarinic acetylcholine receptor M3 CHEMBL245	IC50	5.47	5.47	3404.0	1
Alpha-2B adrenergic receptor CHEMBL1942	IC50	5.45	5.45	3584.0	1
Muscarinic acetylcholine receptor M1 CHEMBL216	IC50	5.43	5.43	3675.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	IC50	5.43	5.43	3704.0	1
5-hydroxytryptamine receptor 2A CHEMBL224	IC50	5.41	5.41	3929.0	1
Muscarinic acetylcholine receptor M4 CHEMBL1821	IC50	5.4	5.4	3958.0	1
Alpha-2A adrenergic receptor CHEMBL1867	IC50	5.39	5.39	4043.0	1
Alpha-2C adrenergic receptor CHEMBL1916	IC50	5.31	5.31	4934.0	1
Substance-K receptor CHEMBL2327	IC50	5.3	5.3	4958.0	1
Indoleamine 2,3-dioxygenase 1 CHEMBL4685	IC50	5.19	5.19	6400.0	1
Bile acid receptor CHEMBL2047	IC50	5.16	5.16	6880.0	1
Indoleamine 2,3-dioxygenase 2 CHEMBL2189159	IC50	5.0	5.0	10100.0	1
Beta-lactamase CHEMBL2026	IC50	4.85	4.6	14000.0	4
Malate dehydrogenase, cytoplasmic CHEMBL3560	IC50	4.7	4.7	20000.0	1
Indoleamine 2,3-dioxygenase 1 CHEMBL1075294	IC50	4.53	4.53	29300.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cytochrome P450 2C19	IC50	=	16.0	nM	7.8	DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Cytochrome P450 3A4	IC50	=	70.0	nM	7.16	DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluorome...	-
Sodium-dependent serotonin transporter	Ki	=	75.0	nM	7.12	DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand bind...	-
Sodium-dependent serotonin transporter	IC50	=	141.0	nM	6.85	DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand bind...	-
Thromboxane-A synthase	IC50	=	183.0	nM	6.74	DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)	-
Cytochrome P450 2C9	IC50	=	200.0	nM	6.7	DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Muscarinic acetylcholine receptor M4	Ki	=	552.0	nM	6.26	DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Cytochrome P450 1A2	IC50	=	600.0	nM	6.22	DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Muscarinic acetylcholine receptor M3	Ki	=	721.0	nM	6.14	DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Alpha-2C adrenergic receptor	Ki	=	717.0	nM	6.14	DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)	-
Cytochrome P450 2D6	IC50	=	800.0	nM	6.1	DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Muscarinic acetylcholine receptor M1	Ki	=	885.0	nM	6.05	DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
D(3) dopamine receptor	Ki	=	1054.0	nM	5.98	DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)	-
5-hydroxytryptamine receptor 2A	Ki	=	1122.0	nM	5.95	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: ...	-
Sodium-dependent dopamine transporter	Ki	=	1371.0	nM	5.86	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	-
5-hydroxytryptamine receptor 2C	Ki	=	1459.0	nM	5.84	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: ...	-
Adenosine receptor A3	Ki	=	1485.0	nM	5.83	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Alpha-2A adrenergic receptor	Ki	=	1516.0	nM	5.82	DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)	-
Unchecked	Ki	=	1560.0	nM	5.81	DRUGMATRIX: Calcium Channel Type L, Dihydropyridine radioligand binding (ligand:...	-
Alpha-2B adrenergic receptor	Ki	=	1636.0	nM	5.79	DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscin...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	371
16472241	10.2174/1570163043334794	Hepatotoxicity	18
22194678	10.1371/journal.pcbi.1002310	Hepatotoxicity	14
14521410	10.1021/jm030191r	Beta-lactamase	4
25036789	10.1016/j.ejmech.2014.06.078	Indoleamine 2,3-dioxygenase 1	4
13678405	10.1021/jm030266r	Beta-lactamase	3
17447748	10.1021/jm061317y	Beta-lactamase	2
37468498	10.1038/s41467-023-40064-9	Beta-1 adrenergic receptor	2
18223646	10.1038/nchembio.65	Eukaryotic peptide chain release factor GTP-binding subunit	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 1A	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	2
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	Nuclear receptor subfamily 1 group I member 2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
23688559	10.1016/j.bmc.2013.04.069	Bile acid receptor	2
23688559	10.1016/j.bmc.2013.04.069	Nuclear receptor subfamily 1 group I member 2	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2

Data from ChEMBL 36 via Core Engine