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

CHEMBL3393319

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
Cc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393319
Phase Preclinical
Structure Type MOL
InChI Key SOEURGICWVACEJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.41
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18F3N5
MW 337.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 12
CHEMBL1908389
 Ki 6.14 6.14 725.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 12 Ki = 725.0 nM 6.14 Inhibition of DLK (unknown origin) 25341110

Literature References

PubMed DOI Target Context # Activities
25341110 10.1021/jm5013984 Mitogen-activated protein kinase kinase kinase 12 1

Data from ChEMBL 36 via Core Engine