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Compound Detail

CHEMBL37762

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O=C(Nc1ccc(Cl)cn1)N[C@@H]1C[C@@H]1c1c(F)cccc1F

Basic Information

ChEMBL ID CHEMBL37762
Phase Preclinical
Structure Type MOL
InChI Key LVBIXTQEPOAWGY-JOYOIKCWSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.7
MW (Da)
3.69
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClF2N3O
MW 323.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.89

Activity Summary

IC50 3 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 8.7 7.7133 2.0 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 type 1 reverse transcriptase 3
9873380 10.1016/s0960-894x(98)00249-2 MT4 3
9873380 10.1016/s0960-894x(98)00249-2 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine