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Compound Detail

CHEMBL4790731

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CCNC(=O)c1ccc(-n2nc(/C=C/c3ccc4c(c3)OCO4)cc2/C=C/c2ccc3c(c2)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4790731
Phase Preclinical
Structure Type MOL
InChI Key SNQGGCPXPYBHOG-LQIBPGRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
5.42
ALogP
7
HBA
1
HBD
83.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H25N3O5
MW 507.55
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
32403017 10.1016/j.ejmech.2020.112331 Unchecked 2

Data from ChEMBL 36 via Core Engine