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Compound Detail

CHEMBL67675

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CC(C)=CCN1Cc2cc(Cl)cc3nc(O)n(c23)CC1C

Basic Information

ChEMBL ID CHEMBL67675
Phase Preclinical
Structure Type MOL
InChI Key FRCNLKVXRALXMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
3.57
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20ClN3O
MW 305.81
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8667357 10.1021/jm950589q Human immunodeficiency virus type 1 reverse transcriptase 1
- 10.1007/s00044-011-9742-x Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine