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Compound Detail

CHEMBL5266228

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CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CN(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266228
Phase Preclinical
Structure Type MOL
InChI Key VXMORPUQZOMONG-NEOPOEGOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

632.8
MW (Da)
2.29
ALogP
9
HBA
3
HBD
146.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H44N4O8S
MW 632.78
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.34

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
36738797 10.1016/j.bmcl.2023.129168 Human immunodeficiency virus type 1 protease 1
36738797 10.1016/j.bmcl.2023.129168 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine