compound 5 [PMID: 24900526]

Ligand id: 7869

Name: compound 5 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 168
Molecular weight 589.21
XLogP 4.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form compound 1 [PMID: 24900526]
IUPAC Name
2-[(4-methoxyphenyl)sulfonyl-[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid
Database Links
ChEMBL Ligand CHEMBL2205660
GtoPdb PubChem SID 223366199
PubChem CID 66560622
Search Google for chemical match using the InChIKey QXROXWFFCFLRBZ-ZEQRLZLVSA-N
Search Google for chemicals with the same backbone QXROXWFFCFLRBZ
Search UniChem for chemical match using the InChIKey QXROXWFFCFLRBZ-ZEQRLZLVSA-N
Search UniChem for chemicals with the same backbone QXROXWFFCFLRBZ
Comments
Prodrug from compound 3 [PMID: 24900526].