Details of the Drug

General Information of Drug (ID: DMKYQWG)

Drug Name

NORHARMANE

Synonyms

9H-Pyrido[3,4-B]indole; Norharman; Norharmane; 244-63-3; beta-Carboline; 2,9-Diazafluorene; Carbazoline; 9H-Beta-carboline; 2-Azacarbazole; 9H-Pyrido(3,4-B)indole; .beta.-Carboline; Carbazoline (VAN); b-carboline; beta Carboline; 2H-Pyrido[3,4-b]indole; UNII-94HMA1I78O; CCRIS 6915; CHEBI:109895; EINECS 205-959-0; NSC 84417; BRN 0128414; MLS000069651; 94HMA1I78O; CHEMBL275224; AIFRHYZBTHREPW-UHFFFAOYSA-N; Norharman, 98%; SMR000058207; AK-25655; N-8720; N-8700; 244-66-6; SR-01000000213; 9h-; Prestwick_363; Norharmane, 98%; zlchem 7

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

168.19

Topological Polar Surface Area (xlogp)

3.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C11H8N2
IUPAC Name: 9H-pyrido[3,4-b]indole
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3
InChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
InChIKey: AIFRHYZBTHREPW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 64961
ChEBI ID: CHEBI:109895
CAS Number: 244-63-3
TTD ID: D0R6FJ

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	[2]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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8	Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. J Med Chem. 2006 Jul 27;49(15):4595-605.
9	Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
10	Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
11	Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new se... J Med Chem. 1997 Sep 12;40(19):3109-18.
12	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
13	DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
14	Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.