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Compound Detail

CHEMBL4453830

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COc1cc(C(=O)c2c[nH]c(-c3c[nH]c4cccc(OC)c34)n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453830
Phase Preclinical
Structure Type MOL
InChI Key CXPUVXNDLLAAFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.82
ALogP
6
HBA
2
HBD
98.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O5
MW 407.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.05

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