Details of the Drug

General Information of Drug (ID: DMP6TLY)

Drug Name

3-Carbamoyl-6-chloro-1H-indole-2-carboxylic acid

Synonyms

CHEMBL42415; 3-Carbamoyl-6-chloro-1H-indole-2-carboxylic acid; BDBM50280277; 6-Chloro-3-carbamoyl-1H-indole-2-carboxylic acid

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)

238.63

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H7ClN2O3
IUPAC Name: 3-carbamoyl-6-chloro-1H-indole-2-carboxylic acid
Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=C2C(=O)N)C(=O)O
InChI: InChI=1S/C10H7ClN2O3/c11-4-1-2-5-6(3-4)13-8(10(15)16)7(5)9(12)14/h1-3,13H,(H2,12,14)(H,15,16)
InChIKey: UVIJBMMICWJDAD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-carboxy indolines and indoles as potential glycine/NMDA antagonists: effect of five-membered ring conformation on affinity. Bioorg. Med. Chem. Lett. 2(12):1627-1630 (1992).