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Compound Detail

CHEMBL70255

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CCN1c2cc(C(F)(F)F)cc(Cl)c2N(C)C(=O)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70255
Phase Preclinical
Structure Type MOL
InChI Key AFCUXPVAIWIPIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
4.50
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClF3N3O
MW 355.75
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 290.0 nM 6.54 In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1)... 1712395

Literature References

PubMed DOI Target Context # Activities
1712395 10.1021/jm00111a045 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine