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Compound Detail

CHEMBL5172231

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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172231
Phase Preclinical
Structure Type MOL
InChI Key DKUUNMQVKNGRSJ-SQOUVECCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.7
MW (Da)
1.94
ALogP
7
HBA
4
HBD
142.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N4O6S
MW 542.66
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
35779291 10.1016/j.ejmech.2022.114570 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine