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Compound Detail

CHEMBL14203

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C1=C(C2=NCCN2)COc2ccccc21

Basic Information

ChEMBL ID CHEMBL14203
Phase Preclinical
Structure Type MOL
InChI Key UZIZYNGEOMYAGP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
1.46
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O
MW 200.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.27

Activity Summary

Ki 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nischarin
CHEMBL3923
Ki 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 3.981 nM 8.4 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