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Compound Detail

CHEMBL1295

BUTOCONAZOLE
💊 Approved Drug
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💊 Approved Drug
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1295
Name BUTOCONAZOLE
Phase Approved
Structure Type MOL
InChI Key SWLMUYACZKCSHZ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Butoconazol Butoconazole Gynofort NSC-758658
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

411.8
MW (Da)
6.64
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
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 1978

Extended Properties

Molecular Formula C19H17Cl3N2S
MW 411.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

ATC Classification

G01AF15
butoconazole
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 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
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 2
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
28089347 10.1016/j.bmcl.2016.12.058 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine