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Compound Detail

CHEMBL1272312

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O=C1C(Cl)=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1272312
Phase Preclinical
Structure Type MOL
InChI Key PQZACRBVZDBFDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.7
MW (Da)
5.16
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.54
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 C21H15Cl3F3N3O2
MW 504.72
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
20933419 10.1016/j.bmcl.2010.09.046 Bcl-2-related protein A1 2

Data from ChEMBL 36 via Core Engine