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Compound Detail

CHEMBL19243

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CCCOP(=O)(OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1)OCC(Cl)(Cl)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19243
Phase Preclinical
Structure Type MOL
InChI Key CPCUFRDNXBFDSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.7
MW (Da)
3.24
ALogP
8
HBA
1
HBD
108.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20Cl3N2O7P
MW 477.67
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.41

Activity Summary

EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C8166
CHEMBL614533
 EC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C8166 EC50 = 20000.0 nM 4.7 Ability to inhibit the replication of HIV-1 IIIB infected C8166 cells -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80315-7 C8166 2
- 10.1016/S0960-894X(00)80315-7 Unchecked 1

Data from ChEMBL 36 via Core Engine