Details of the Drug

General Information of Drug (ID: DMRPFNU)

Drug Name

7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol

Synonyms

CHEMBL505550; 7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol

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)

276.3

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16N2O
IUPAC Name: 7-(1-imidazol-1-ylethyl)-9H-fluoren-2-ol
Canonical SMILES: CC(C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)O)N4C=CN=C4
InChI: InChI=1S/C18H16N2O/c1-12(20-7-6-19-11-20)13-2-4-17-14(8-13)9-15-10-16(21)3-5-18(15)17/h2-8,10-12,21H,9H2,1H3
InChIKey: LVWQDZJSHTWZHR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]
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 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

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.