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Compound Detail

CHEMBL4577899

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Cc1cc(C)c(CNc2nc(-c3ccc(CN4CCOCC4)cc3)nc3[nH]cnc23)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577899
Phase Preclinical
Structure Type MOL
InChI Key PUMIEFGDLFLMPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.77
ALogP
7
HBA
3
HBD
111.8
PSA (Ų)
0.42
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 C24H27N7O2
MW 445.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
31610375 10.1016/j.ejmech.2019.111728 A549 1
31610375 10.1016/j.ejmech.2019.111728 HCT-116 1
31610375 10.1016/j.ejmech.2019.111728 HepG2 1

Data from ChEMBL 36 via Core Engine