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Compound Detail

CHEMBL80821

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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80821
Phase Preclinical
Structure Type MOL
InChI Key GWQIQTUGHXXYQV-SJVNDZIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
-0.91
ALogP
6
HBA
6
HBD
165.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N5O6
MW 475.55
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)85040-2 Caspase-1 1

Data from ChEMBL 36 via Core Engine