Details of the Drug

General Information of Drug (ID: DMHUBT5)

Drug Name

3-Carbazol-9-yl-propionic acid

Synonyms

6622-54-4; 3-(9H-carbazol-9-yl)propanoic acid; 3-carbazol-9-ylpropanoic acid; CHEMBL184817; Carbazole-9-propionic acid; NSC400; Carbazol-N-propionsaure; AC1Q75LO; AC1Q5WE7; TimTec1_004366; Oprea1_037143; Oprea1_183633; SCHEMBL150033; 9H-Carbazole-9-propionic acid; AC1L56H9; DTXSID30277021; 3-(carbazol-9-yl)propanoic acid; NSC-400; MolPort-000-474-043; 3-(Carbazol-9-yl)propionic acid; HMS1546G10; NSC54636; ZINC1841595; STK387004; BDBM50152856; 7615AE; BBL007862; SBB010078

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)

239.27

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H13NO2
IUPAC Name: 3-carbazol-9-ylpropanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCC(=O)O
InChI: InChI=1S/C15H13NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,17,18)
InChIKey: ZAJJJOMMWPVJMH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 219301
CAS Number: 6622-54-4
TTD ID: D07OKT

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]

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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.