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Compound Detail

CHEMBL456446

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c1ccc(CNc2nc3ccccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL456446
Phase Preclinical
Structure Type MOL
InChI Key FXMPPQGQNSTUGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
3.18
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.72
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 C14H13N3
MW 223.28
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.17

Activity Summary

Kd 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
Kd 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18998663 10.1021/jm800809f Small conductance calcium-activated potassium channel protein 3 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine