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Compound Detail

CHEMBL353108

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CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)O

Basic Information

ChEMBL ID CHEMBL353108
Phase Preclinical
Structure Type MOL
InChI Key ZRFQYRWSJDQKRT-UBAWTDLSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

653.8
MW (Da)
3.30
ALogP
7
HBA
6
HBD
200.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H51N5O7
MW 653.82
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80673-3 Human immunodeficiency virus type 1 protease 1
- 10.1016/S0960-894X(00)80673-3 CV-1 1

Data from ChEMBL 36 via Core Engine