Details of the Drug

General Information of Drug (ID: DMPBJ9L)

Drug Name

1-((9H-Fluoren-2-yl)methyl)-1H-imidazole

Synonyms

CHEMBL502542; 1-((9H-Fluoren-2-yl)methyl)-1H-imidazole; SCHEMBL8607720

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

246.31

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H14N2
IUPAC Name: 1-(9H-fluoren-2-ylmethyl)imidazole
Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)CN4C=CN=C4
InChI: InChI=1S/C17H14N2/c1-2-4-16-14(3-1)10-15-9-13(5-6-17(15)16)11-19-8-7-18-12-19/h1-9,12H,10-11H2
InChIKey: OLHTVPMFDRPUTG-UHFFFAOYSA-N

Cross-matching ID

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 Interaction Atlas (MIA)

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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)

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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.