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Compound Detail

CHEMBL4864245

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CCCCn1ccc2c(-c3nc4c(-c5cc(OC)c(OC)c(OC)c5)cccc4[nH]3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864245
Phase Preclinical
Structure Type MOL
InChI Key ALGWTRMODIMDEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
6.68
ALogP
5
HBA
1
HBD
61.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N3O3
MW 455.56
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.68

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