Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL304594

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCCN([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304594
Phase Preclinical
Structure Type MOL
InChI Key SJWQFWLXMXSQHA-ZMGGXKTPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

599.8
MW (Da)
4.34
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H45N3O5
MW 599.77
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80071-2 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine