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Compound Detail

CHEMBL14174

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C/C(=C\c1ccccc1)C1=NCCN1

Basic Information

ChEMBL ID CHEMBL14174
Phase Preclinical
Structure Type MOL
InChI Key LQLTUSNXGOKGTB-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

186.3
MW (Da)
2.09
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.75
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 C12H14N2
MW 186.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.09

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nischarin
CHEMBL3923
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 10.0 nM 8.0 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