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

CHEMBL4101671

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
C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc(C#N)cc4)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4101671
Phase Preclinical
Structure Type MOL
InChI Key WWUANJRPVQBNTL-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.27
ALogP
5
HBA
0
HBD
67.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16FN5
MW 393.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
28692292 10.1021/acs.jmedchem.7b00665 SK-OV-3 1
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine