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Compound Detail

CHEMBL211799

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COc1ccc(CNc2c(-c3ccccc3)c(O)nc3cc(Cl)c(C#N)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211799
Phase Preclinical
Structure Type MOL
InChI Key KWXKCJGNKBMAQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
5.75
ALogP
5
HBA
2
HBD
78.2
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 C24H18ClN3O2
MW 415.88
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
16784844 10.1016/j.bmcl.2006.06.014 Fatty acid synthase 1

Data from ChEMBL 36 via Core Engine