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Compound Detail

CHEMBL4521087

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COc1cc(C(=O)c2c[nH]c(-c3c(-c4ccccc4)[nH]c4ccccc34)n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4521087
Phase Preclinical
Structure Type MOL
InChI Key FQBHYGVKUHRUFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
5.48
ALogP
5
HBA
2
HBD
89.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N3O4
MW 453.50
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
31251599 10.1021/acs.jmedchem.9b00706 M14 1
31251599 10.1021/acs.jmedchem.9b00706 A-375 1
31251599 10.1021/acs.jmedchem.9b00706 WM164 1

Data from ChEMBL 36 via Core Engine