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

CHEMBL5074647

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
CO[C@H]1CC[C@@H](Nc2cc(C)nc(-n3nc(C)cc3C)n2)CC1

Basic Information

ChEMBL ID CHEMBL5074647
Phase Preclinical
Structure Type MOL
InChI Key LCFTVJNDYDYVRA-GASCZTMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.96
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.94
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 C17H25N5O
MW 315.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 2
CHEMBL2547
EC50 4.3 4.3 49720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34962403 10.1021/acs.jmedchem.1c01473 Small conductance calcium-activated potassium channel protein 2 2

Data from ChEMBL 36 via Core Engine