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Compound Detail

CHEMBL151335

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CC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151335
Phase Preclinical
Structure Type MOL
InChI Key JWEXKLDXNNGJMP-YTMVLYRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.7
MW (Da)
5.72
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N3O4
MW 545.72
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
12459011 10.1021/jm0208370 Human immunodeficiency virus type 1 protease 2

Data from ChEMBL 36 via Core Engine