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Compound Detail

CHEMBL33775

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O=[N+]([O-])c1ccc(OCC2CO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33775
Phase Preclinical
Structure Type MOL
InChI Key FPIGOBKNDYAZTP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
1.37
ALogP
4
HBA
0
HBD
64.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9NO4
MW 195.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.81

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80528-4 Human immunodeficiency virus type 1 protease 2
- 10.1016/0960-894X(95)00306-E Human immunodeficiency virus type 1 protease 2
- 10.1016/S0960-894X(97)10106-8 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine