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Compound Detail

CHEMBL279907

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CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1

Basic Information

ChEMBL ID CHEMBL279907
Phase Preclinical
Structure Type MOL
InChI Key WSNDRKOLHPSTJY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.2
MW (Da)
4.47
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18Cl2N2
MW 309.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor IC50 = 430.0 nM 6.37 Inhibition of [3H]mepyramine binding to the Histamine H1 receptor in guinea pig ... 1673158

Literature References

PubMed DOI Target Context # Activities
1673158 10.1021/jm00108a012 Cavia porcellus 1
1673158 10.1021/jm00108a012 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine