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Compound Detail

CHEMBL4059814

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Cl.FC(F)(F)c1ccc(-c2c3ccc(C(F)(F)F)cc3nc3cc4ccc(C(F)(F)F)cc4cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059814
Phase Preclinical
Structure Type MOL
InChI Key SAQHBAYHIUZDMY-UHFFFAOYSA-N
Parent Compound CHEMBL4116468
Active Moiety CHEMBL4116468
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.4
MW (Da)
9.26
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H13ClF9N
MW 545.83
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.47

Literature References

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

Data from ChEMBL 36 via Core Engine