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Compound Detail

CHEMBL264140

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COCCOc1ccc2c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264140
Phase Preclinical
Structure Type MOL
InChI Key YLCRSZCRMIQCBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.2
MW (Da)
5.18
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2N3O2
MW 388.25
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
17905586 10.1016/j.bmc.2007.09.028 Unchecked 1

Data from ChEMBL 36 via Core Engine