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Compound Detail

CHEMBL1761190

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COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)c(C(F)(F)F)c1)CCc1cc2c(cc1-3)OCO2.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761190
Phase Preclinical
Structure Type MOL
InChI Key ILNPSCLWRUZLHM-UHFFFAOYSA-M
Parent Compound CHEMBL1789143
Active Moiety CHEMBL1789143
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
5.46
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18ClF4NO5
MW 547.89
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
21295891 10.1016/j.ejmech.2011.01.016 Human immunodeficiency virus 1 2
21295891 10.1016/j.ejmech.2011.01.016 ADMET 1
21295891 10.1016/j.ejmech.2011.01.016 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine