Details of the Drug

General Information of Drug (ID: DM4MIXK)

Drug Name
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole
Synonyms CHEMBL499882; 2-(1-Imidazol-1-yl-ethyl)-9H-carbazole; SCHEMBL9020993; VCFYTQOGKYSBGI-UHFFFAOYSA-N; BDBM50272211; YM 55208; 2-[1-(1H-imidazol-1-yl) ethyl]carbazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 261.32
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C17H15N3
IUPAC Name
2-(1-imidazol-1-ylethyl)-9H-carbazole
Canonical SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3N2)N4C=CN=C4
InChI
InChI=1S/C17H15N3/c1-12(20-9-8-18-11-20)13-6-7-15-14-4-2-3-5-16(14)19-17(15)10-13/h2-12,19H,1H3
InChIKey
VCFYTQOGKYSBGI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
18976091
ChEBI ID
CHEMBL499882
TTD ID
D0U5GF
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid 17-alpha-monooxygenase (S17AH) TTRA5BZ CP17A_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Steroid 17-alpha-monooxygenase (S17AH) DTT CYP17A1 6.87E-01 0.07 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxyl... Bioorg Med Chem. 2008 Aug 15;16(16):7715-27.