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Compound Detail

CHEMBL4475704

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COC(=O)c1ccc2c(-c3nc(C(=O)c4cc(OC)c(OC)c(OC)c4)c[nH]3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4475704
Phase Preclinical
Structure Type MOL
InChI Key TXFUDICUOPBUEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
3.60
ALogP
7
HBA
2
HBD
115.5
PSA (Ų)
0.34
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 C23H21N3O6
MW 435.44
Aromatic Rings 4
Heavy Atoms 32
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