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Compound Detail

CHEMBL354369

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Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(C(F)(F)F)cc3)c1)c1cccc(Cl)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354369
Phase Preclinical
Structure Type MOL
InChI Key HKBOUIVQEWHMRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.9
MW (Da)
6.29
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17ClF3N3O3
MW 511.89
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
11958985 10.1016/s0960-894x(02)00051-3 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine