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Compound Detail

CHEMBL1272264

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Cc1cccc(N2CCN(C3=C(Cl)C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1272264
Phase Preclinical
Structure Type MOL
InChI Key MHNYBXVFZLPFIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.8
MW (Da)
4.45
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18Cl3N3O2
MW 450.75
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.41

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