Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4641071

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCN(c2ccc(Nc3ncc(Cl)c(NCc4ccccc4)n3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641071
Phase Preclinical
Structure Type MOL
InChI Key RNTBASVIMIRUAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
3.63
ALogP
7
HBA
2
HBD
69.2
PSA (Ų)
0.64
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 C21H24ClN7
MW 409.93
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
32129996 10.1021/acs.jmedchem.9b02121 CDK6/cyclin D3 1
32129996 10.1021/acs.jmedchem.9b02121 CDK9/Cyclin K 1
32129996 10.1021/acs.jmedchem.9b02121 CDK2/Cyclin A2 1
32129996 10.1021/acs.jmedchem.9b02121 MDA-MB-231 1
32129996 10.1021/acs.jmedchem.9b02121 Jurkat 1
32129996 10.1021/acs.jmedchem.9b02121 MCF7 1
32129996 10.1021/acs.jmedchem.9b02121 L02 1

Data from ChEMBL 36 via Core Engine