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Compound Detail

CHEMBL80695

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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]1COC(=O)C1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80695
Phase Preclinical
Structure Type MOL
InChI Key YDQLGYMECOFUJR-SJVNDZIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
-0.48
ALogP
7
HBA
5
HBD
162.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N4O7
MW 476.53
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.13

Literature References

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

Data from ChEMBL 36 via Core Engine