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Compound Detail

CHEMBL325232

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CC(C)C[C@H](NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325232
Phase Preclinical
Structure Type MOL
InChI Key IVPGWQINJKEEMV-YPJRHXLCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
2.01
ALogP
7
HBA
6
HBD
162.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H40N4O7S
MW 552.69
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
12540231 10.1021/jm025594q Hepatitis C virus serine protease, NS3/NS4A 1

Data from ChEMBL 36 via Core Engine