Details of the Drug

General Information of Drug (ID: DMWLJ5S)

Drug Name

Hyrtiosulawesine

Synonyms

Hyrtiosulawesine; CHEMBL465767; AC1LCSOD; BDBM50250398; (6-Hydroxy-9H-beta-carbolin-1-yl)-(5-hydroxy-1H-indol-3-yl)-methanone; (6-hydroxy-9H-beta-carbolin-1-yl)(5-hydroxy-1H-indol-3-yl)methanone; methanone, (5-hydroxy-1H-indol-3-yl)(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-; (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone

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)

343.3

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H13N3O3
IUPAC Name: (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)C(=O)C3=NC=CC4=C3NC5=C4C=C(C=C5)O
InChI: InChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H
InChIKey: OATSYJQLKPRTBO-UHFFFAOYSA-N