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Compound Detail

CHEMBL4797331

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COc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc([N+](=O)[O-])cc5O)cc4c3)cc(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4797331
Phase Preclinical
Structure Type MOL
InChI Key UZCCUAHMHVXFEM-CCVNUDIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

510.5
MW (Da)
5.15
ALogP
8
HBA
4
HBD
154.8
PSA (Ų)
0.13
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 C27H22N6O5
MW 510.51
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
32717483 10.1016/j.ejmech.2020.112608 HepG2 1
32717483 10.1016/j.ejmech.2020.112608 QGY-7703 1
32717483 10.1016/j.ejmech.2020.112608 SMMC-7721 1
32717483 10.1016/j.ejmech.2020.112608 L02 1

Data from ChEMBL 36 via Core Engine