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Compound Detail

CHEMBL3335493

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CC(C)(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335493
Phase Preclinical
Structure Type MOL
InChI Key YOQXKLPOTHGQPY-GBESFXJTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

518.7
MW (Da)
-0.32
ALogP
6
HBA
8
HBD
218.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H42N8O4
MW 518.66
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25221663 10.1021/ml500245v Genome polyprotein 3
25221663 10.1021/ml500245v Prothrombin 1

Data from ChEMBL 36 via Core Engine