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Compound Detail

CHEMBL4874994

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COc1cc(-c2cccc3[nH]c(-c4ccc(C(=N)NO)cc4)nc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874994
Phase Preclinical
Structure Type MOL
InChI Key UIWDCUDOEIGZFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
4.23
ALogP
6
HBA
4
HBD
112.5
PSA (Ų)
0.21
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 C23H22N4O4
MW 418.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
33788562 10.1021/acs.jmedchem.0c01837 MCF7 1
33788562 10.1021/acs.jmedchem.0c01837 A549 1
33788562 10.1021/acs.jmedchem.0c01837 HeLa 1
33788562 10.1021/acs.jmedchem.0c01837 B16-F10 1

Data from ChEMBL 36 via Core Engine