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Compound Detail

CHEMBL466522

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O=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2c1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466522
Phase Preclinical
Structure Type MOL
InChI Key UVRMAHDLDQNMCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.3
MW (Da)
5.50
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17Cl2N3O3
MW 454.31
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
19394219 10.1016/j.bmcl.2009.04.004 Acyl-CoA desaturase 1 1

Data from ChEMBL 36 via Core Engine