Details of the Drug

General Information of Drug (ID: DME5O17)

Drug Name

NOSTOCARBOLINE

Synonyms

Nostocarboline hydroiodide; Nostacarboline Iodide; CHEMBL499836; MolPort-003-983-847; BN0656; 6-chloro-2-methyl-9H-pyrido[3,4-b]indol-2-ium hydroiodide

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)

217.67

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C12H10ClN2+
IUPAC Name: 6-chloro-2-methyl-9H-pyrido[3,4-b]indol-2-ium
Canonical SMILES: C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl
InChI: InChI=1S/C12H9ClN2/c1-15-5-4-9-10-6-8(13)2-3-11(10)14-12(9)7-15/h2-7H,1H3/p+1
InChIKey: RGQUDRQSJYJYAQ-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 5326150
ChEBI ID: CHEBI:66637
TTD ID: D0NU3J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Nostocarboline: isolation and synthesis of a new cholinesterase inhibitor from Nostoc 78-12A. J Nat Prod. 2005 Dec;68(12):1793-5.