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Compound Detail

CHEMBL14267

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CCc1cccc(C2=NCCN2)c1

Basic Information

ChEMBL ID CHEMBL14267
Phase Preclinical
Structure Type MOL
InChI Key JUUWAXUXFFJAPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.60
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2
MW 174.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nischarin
CHEMBL3923
Ki 7.5 7.5 31.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 31.62 nM 7.5 Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... 10737743

Literature References

PubMed DOI Target Context # Activities
10737743 10.1021/jm991124t Nischarin 1

Data from ChEMBL 36 via Core Engine