Details of the Drug

General Information of Drug (ID: DM62XC3)

Drug Name

4,6-Dichloro-1H-indole-2-carboxylic acid

Synonyms

101861-63-6; 4,6-dichloro-1H-indole-2-carboxylic acid; 4,6-Dichloroindole-2-carboxylic acid; CHEMBL301556; 1H-Indole-2-carboxylicacid, 4,6-dichloro-; 3-(4,6-Dichloro-2-carboxyindol-3-yl)propionic acid; 3-Dccip; KBio2_007460; PubChem7197; Spectrum_001822; SpecPlus_000800; 4,6-Dichloro-1H-indole-2-carboxylicacid; ACMC-1BPUR; AC1Q3MQM; AC1L2SZE; Maybridge1_006804; AC1Q73TA; Oprea1_268024; KBioSS_002327; SCHEMBL727389; DivK1c_006896; KBio2_004892; KBio2_002324; KBio1_001840; CTK0H4782; HMS560N06; DTXSID80144299; MolPort-000-147-351; Mdl-29951

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)

230.04

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H5Cl2NO2
IUPAC Name: 4,6-dichloro-1H-indole-2-carboxylic acid
Canonical SMILES: C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl
InChI: InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
InChIKey: DHXISZKSSIWRLH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 127988
CAS Number: 101861-63-6
TTD ID: D03GBO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fructose-1,6-bisphosphatase (FBP)	TTWHDVK	F16P1_HUMAN ; F16P2_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	3-(2-carboxyindol-3-yl)propionic acid derivatives: antagonists of the strychnine-insensitive glycine receptor associated with the N-methyl-D-aspart... J Med Chem. 1990 Nov;33(11):2944-6.