Details of the Drug

General Information of Drug (ID: DM6OFJ8)

Drug Name

Indibulin

Synonyms

Indibulin; 204205-90-3; 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide; d-24851; UNII-80K4H2RB8P; 80K4H2RB8P; ZIO-301; D 24851; 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-(pyridin-4-yl)acetamide; N-(Pyridin-4-yl)-[1-(4-chlorobenzyl)-indol-3-yl]-glyoxyl Amide; Indibulin [USAN:INN]; 2-{1-[(4-chlorophenyl)methyl]indol-3-yl}-2-oxo-N-(4-pyridyl)acetamide; 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-(4-pyridyl)acetamide; Indibulin (USAN/INN); AC1L1ESK; AC1Q5NS8; MLS006011745; CHEMBL49642

Indication

Disease Entry	ICD 11	Status	REF
Advanced sarcoma	2A60-2C35	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

389.8

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H16ClN3O2
IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4
InChI: InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChIKey: SOLIIYNRSAWTSQ-UHFFFAOYSA-N