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

CHEMBL4097755

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
COc1ccc2nccc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097755
Phase Preclinical
Structure Type MOL
InChI Key LKTJFKKNHRXSGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
3.71
ALogP
7
HBA
3
HBD
98.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N7O2
MW 471.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
29357250 10.1021/acs.jmedchem.7b01261 MV4-11 2
29357250 10.1021/acs.jmedchem.7b01261 Receptor-type tyrosine-protein kinase FLT3 2
29357250 10.1021/acs.jmedchem.7b01261 CDK2/Cyclin A1 2

Data from ChEMBL 36 via Core Engine