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Compound Detail

CHEMBL2172735

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COc1ccc(C(=O)N/N=C/c2ccccc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172735
Phase Preclinical
Structure Type MOL
InChI Key KQHCNRYPPUALPT-GZTJUZNOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.47
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O3
MW 284.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
22891752 10.1021/jm300514y Unchecked 2

Data from ChEMBL 36 via Core Engine