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Compound Detail

CHEMBL3752925

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CC(C)CCO[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752925
Phase Preclinical
Structure Type MOL
InChI Key INIQMHQPVBEPRG-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.7
MW (Da)
4.68
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15ClF3NO3
MW 337.73
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
26708112 10.1016/j.ejmech.2015.11.025 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine