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Compound Detail

CHEMBL2172736

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COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172736
Phase Preclinical
Structure Type MOL
InChI Key AYGVKOKHFQTTHF-GIJQJNRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
2.20
ALogP
6
HBA
1
HBD
78.4
PSA (Ų)
0.67
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 C17H16N2O5
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.00

Literature References

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

Data from ChEMBL 36 via Core Engine