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Compound Detail

CHEMBL37024

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CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F

Basic Information

ChEMBL ID CHEMBL37024
Phase Preclinical
Structure Type MOL
InChI Key QLRFOQAJDSEUSU-CMPLNLGQSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
4.09
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClF2N3O2
MW 367.78
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.92

Activity Summary

IC50 3 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 8.82 7.9133 1.5 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873380 10.1016/s0960-894x(98)00249-2 Human immunodeficiency virus 1 4
9873380 10.1016/s0960-894x(98)00249-2 Human immunodeficiency virus type 1 reverse transcriptase 3

Data from ChEMBL 36 via Core Engine