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Compound Detail

CHEMBL406465

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O=c1[nH]c(=O)n([C@H]2C=C[C@@H](OCP(=O)(O)O)O2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406465
Phase Preclinical
Structure Type MOL
InChI Key KUVKABAKYATJNM-RQJHMYQMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.1
MW (Da)
-0.14
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.50
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 C9H10BrN2O7P
MW 369.06
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.34

Activity Summary

EC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus
CHEMBL613758
 EC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus EC50 = 15000.0 nM 4.82 Antiviral activity against wild type HIV 18029175

Literature References

PubMed DOI Target Context # Activities
18029175 10.1016/j.bmcl.2007.10.038 Human immunodeficiency virus 4
18029175 10.1016/j.bmcl.2007.10.038 MT2 1

Data from ChEMBL 36 via Core Engine