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Compound Detail

CHEMBL1269201

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O=C1C(Cl)=C(NCCO)C(=O)N1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1269201
Phase Preclinical
Structure Type MOL
InChI Key ZANYMBSKGFGGCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.6
MW (Da)
1.90
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9Cl3N2O3
MW 335.57
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.24

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