Details of the Drug

General Information of Drug (ID: DMKI2Y9)

Drug Name

(9H-beta-Carbolin-3-yl)-carbamic acid ethyl ester

Synonyms

NSC608075; AC1Q65MC; AC1L75O0; SCHEMBL2215023; CHEMBL353674; ZINC1610755; ethyl 9H-; A-carbolin-3-ylcarbamate; NSC-608075; ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate

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)

255.27

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H13N3O2
IUPAC Name: ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
Canonical SMILES: CCOC(=O)NC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C14H13N3O2/c1-2-19-14(18)17-13-7-10-9-5-3-4-6-11(9)16-12(10)8-15-13/h3-8,16H,2H2,1H3,(H,15,17,18)
InChIKey: ABHBEIYQTPYXQQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 355090
TTD ID: D0A6AX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-Amino-beta-carboline derivatives and the benzodiazepine receptor. Synthesis of a selective antagonist of the sedative action of diazepam. J Med Chem. 1985 Jun;28(6):824-8.