compound 17 [PMID: 24257095]

Ligand id: 9449

Name: compound 17 [PMID: 24257095]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 201.72
Molecular weight 497.24
XLogP 0.18
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(1H-indole-3-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Database Links
GtoPdb PubChem SID 329968389
PubChem CID 71566654
Search Google for chemical match using the InChIKey WGEOKEOSKNNXJR-ROUUACIJSA-N
Search Google for chemicals with the same backbone WGEOKEOSKNNXJR
Search UniChem for chemical match using the InChIKey WGEOKEOSKNNXJR-ROUUACIJSA-N
Search UniChem for chemicals with the same backbone WGEOKEOSKNNXJR
Comments
Potent small molecule agonist of the C3a receptor.