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Compound Detail

CHEMBL3943980

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CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cn3)nc2n(C2CCCC2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3943980
Phase Preclinical
Structure Type MOL
InChI Key CWNCDFOPNJBLHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
3.22
ALogP
9
HBA
1
HBD
113.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N7O3
MW 489.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
33857728 10.1016/j.ejmech.2021.113432 Cyclin-dependent kinase 4/cyclin D1 2
33857728 10.1016/j.ejmech.2021.113432 CDK6/cyclin D3 2
27448913 10.1016/j.ejmech.2016.07.020 NON-PROTEIN TARGET 1
33857728 10.1016/j.ejmech.2021.113432 NCI-H1299 1
33857728 10.1016/j.ejmech.2021.113432 MDA-MB-231 1
33857728 10.1016/j.ejmech.2021.113432 MDA-MB-453 1
33857728 10.1016/j.ejmech.2021.113432 MCF7 1

Data from ChEMBL 36 via Core Engine