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Compound Detail

CHEMBL4071188

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COc1ccc2c(-c3ccc(C(F)(F)F)cc3)c3cc4cc(C(F)(F)F)ccc4cc3nc2c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4071188
Phase Preclinical
Structure Type MOL
InChI Key GZDFTEYYDMLABR-UHFFFAOYSA-N
Parent Compound CHEMBL4116864
Active Moiety CHEMBL4116864
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.4
MW (Da)
8.25
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H16ClF6NO
MW 507.86
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
28882502 10.1016/j.bmc.2017.07.067 MCF7 3

Data from ChEMBL 36 via Core Engine