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Compound Detail

CHEMBL4207337

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O=C1Nc2ccc(O)cc2/C1=C1/Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207337
Phase Preclinical
Structure Type MOL
InChI Key JFFPESHRJIOJOG-YPKPFQOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.36
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N2O3
MW 278.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
29122482 10.1016/j.bmcl.2017.10.069 HT-22 1

Data from ChEMBL 36 via Core Engine