ONO-AE3-237

Ligand id: 8537

Name: ONO-AE3-237

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 81
Molecular weight 484.2
XLogP 5.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[1-[4-[[(2S)-4,6-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
Database Links
PubChem CID 10227892
Search Google for chemical match using the InChIKey PDLHJVXUGHZZQP-QHCPKHFHSA-N
Search Google for chemicals with the same backbone PDLHJVXUGHZZQP
Comments
ONO-AE3-237 has high DP1 antagonist selectivity and (sub)nanomolar affinity.