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Compound Detail

CHEMBL4569906

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COc1cc(C(=O)c2c[nH]c(-c3c[nH]c4cc(O)ccc34)n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569906
Phase Preclinical
Structure Type MOL
InChI Key DXEYIEDMZRFQNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.52
ALogP
6
HBA
3
HBD
109.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O5
MW 393.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.30

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