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Compound Detail

CHEMBL5435283

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CCn1c2ccccc2c2cc(/C=C/c3nc4c(ccc5ccccc54)o3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435283
Phase Preclinical
Structure Type MOL
InChI Key WYBQARUYEXVEJP-FOWTUZBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
7.28
ALogP
3
HBA
0
HBD
31.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N2O
MW 388.47
Aromatic Rings 6
Heavy Atoms 30
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
37036951 10.1021/acs.jmedchem.2c01808 HepG2 1
37036951 10.1021/acs.jmedchem.2c01808 HCT-116 1
37036951 10.1021/acs.jmedchem.2c01808 NCM460 1

Data from ChEMBL 36 via Core Engine