Details of the Drug

General Information of Drug (ID: DM74GWO)

Drug Name

4-Carbazol-9-yl-butyric acid

Synonyms

CARBAZOLE BUTANOIC ACID; 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID; CHEMBL185595; CRZ; 90053-09-1; 4-Carbazol-9-yl-butyric acid; 1tow; AC1L9MBO; 4-carbazol-9-ylbutanoic acid; 9H-Carbazole-9-butanoic acid; SCHEMBL4314440; 4-(N-carbazolyl) butyric acid; CTK3I5050; DTXSID50332287; BDBM50152851; AKOS000153937

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)

253.29

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H15NO2
IUPAC Name: 4-carbazol-9-ylbutanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCC(=O)O
InChI: InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
InChIKey: HQAKVYGASUTQHH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 448769
CAS Number: 90053-09-1
DrugBank ID: DB03851
TTD ID: D05JAH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein 4 (FABP4)	TTHWMFZ	FABP4_HUMAN	Inhibitor	[1]
Fatty acid-binding protein 5 (FABP5)	TTNT2S6	FABP5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4445-8.