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Compound Detail

CHEMBL2172728

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COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172728
Phase Preclinical
Structure Type MOL
InChI Key IKNPTZRQNQBBQE-WOJGMQOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.48
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O4
MW 314.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Literature References

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

Data from ChEMBL 36 via Core Engine