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

CHEMBL4644616

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
Cc1ccccc1Nc1nc(Nc2cc(Cl)ccn2)ncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644616
Phase Preclinical
Structure Type MOL
InChI Key LHPRBIBRVGNOET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

346.2
MW (Da)
4.97
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2N5
MW 346.22
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.59

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