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Compound Detail

CHEMBL32038

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CC(C)C1OC(C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32038
Phase Preclinical
Structure Type MOL
InChI Key IPSBUWDPDDIXCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
4.50
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.74
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 C18H17ClF3NO2
MW 371.79
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.14

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 6.22 6.22 597.0 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 = 597.0 nM 6.22 Compound was evaluated for its ability to inhibit HIV-1 Reverse Transcriptase in... 11378361

Literature References

PubMed DOI Target Context # Activities
11378361 10.1016/s0960-894x(01)00239-6 Human immunodeficiency virus type 1 reverse transcriptase 3

Data from ChEMBL 36 via Core Engine