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Compound Detail

CHEMBL175782

METHIMEPIP
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CN1CCC(Cc2c[nH]cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175782
Name METHIMEPIP
Phase Preclinical
Structure Type MOL
InChI Key KIAVPENCSGKVQP-UHFFFAOYSA-N
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

179.3
MW (Da)
1.29
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.74
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 C10H17N3
MW 179.27
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.44

Activity Summary

Ki 5 meas. best 9.0
EC50 4 meas. best 9.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 EC50 9.5 9.5 0.3 3
Histamine H3 receptor
CHEMBL264
 Ki 9.0 9.0 1.0 3
Histamine H4 receptor
CHEMBL3759
 Ki 5.7 5.7 1995.3 2
Histamine H4 receptor
CHEMBL3759
 EC50 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor EC50 = 0.3162 nM 9.5 Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells ... 15771452
Histamine H3 receptor EC50 = 0.3162 nM 9.5 Agonist activity at human histamine H3 receptor assessed as beta galactosidase a... 18433114
Histamine H3 receptor EC50 = 0.3162 nM 9.5 Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... 21044842
Histamine H3 receptor Ki = 1.0 nM 9.0 Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expres... 15771452
Histamine H3 receptor Ki = 1.0 nM 9.0 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... 18433114
Histamine H3 receptor Ki = 1.0 nM 9.0 Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... 21044842
Histamine H4 receptor Ki = 1995.26 nM 5.7 Displacement of [3H]histamine binding to SK-N-MC cell membranes expressing human... 15771452
Histamine H4 receptor Ki = 1995.26 nM 5.7 Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... 21044842
Histamine H4 receptor EC50 = 5011.87 nM 5.3 Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... 21044842

Literature References

PubMed DOI Target Context # Activities
15771452 10.1021/jm049475h Histamine H3 receptor 3
21044842 10.1016/j.bmcl.2010.10.041 Histamine H4 receptor 3
21044842 10.1016/j.bmcl.2010.10.041 Histamine H3 receptor 3
18433114 10.1021/jm7014149 Histamine H3 receptor 2
15771452 10.1021/jm049475h Histamine H1 receptor 1
15771452 10.1021/jm049475h Histamine H2 receptor 1
15771452 10.1021/jm049475h Histamine H4 receptor 1
15771452 10.1021/jm049475h Rattus norvegicus 1
21044842 10.1016/j.bmcl.2010.10.041 Unchecked 1

Data from ChEMBL 36 via Core Engine