Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL417096

IMPENTAMINE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NCCCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417096
Name IMPENTAMINE
Phase Preclinical
Structure Type MOL
InChI Key MZCJWLAXZRFUPI-UHFFFAOYSA-N
3
Targets
12
Activities
3
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

153.2
MW (Da)
1.08
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.62
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 C8H15N3
MW 153.23
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.31

Activity Summary

Ki 8 meas. best 8.3
EC50 3 meas. best 8.63
Kd 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 EC50 8.63 8.4433 2.3 3
Histamine H3 receptor
CHEMBL5076
 Kd 8.4 8.4 4.0 1
Histamine H3 receptor
CHEMBL264
 Ki 8.3 8.2967 5.0 3
Histamine H4 receptor
CHEMBL3759
 Ki 6.6 6.6 251.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor EC50 = 2.344 nM 8.63 Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... 14640553
Histamine H3 receptor EC50 = 3.981 nM 8.4 Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... 21044842
Histamine H3 receptor Kd = 3.981 nM 8.4 Tested in vitro for antagonist activity against H3 receptor of guinea pig jejunu... 7830269
Histamine H3 receptor EC50 = 5.012 nM 8.3 Activity against human H3 receptor as measured by CRE-mediated beta galactosidas... 16610798
Histamine H3 receptor Ki = 5.012 nM 8.3 Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in ... 16610798
Histamine H3 receptor Ki = 5.012 nM 8.3 Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... 21044842
Histamine H3 receptor Ki = 5.129 nM 8.29 Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... 14640553
Histamine H4 receptor Ki = 251.19 nM 6.6 Displacement of [3H]histamine from human H4 receptor expressed in SK-N-MC cells 16610798
Histamine H4 receptor Ki = 251.19 nM 6.6 Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... 21044842

Literature References

PubMed DOI Target Context # Activities
14640553 10.1021/jm030905y Histamine H3 receptor 4
14640553 10.1021/jm030905y Histamine H4 receptor 3
16610798 10.1021/jm0504353 Histamine H3 receptor 3
21044842 10.1016/j.bmcl.2010.10.041 Histamine H3 receptor 3
10197963 10.1021/jm980408v Histamine H3 receptor 2
21044842 10.1016/j.bmcl.2010.10.041 Histamine H4 receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
15163206 10.1021/jm031141p Cavia porcellus 1
15163206 10.1021/jm031141p Histamine H3 receptor 1
7830269 10.1021/jm00002a008 Histamine H3 receptor 1
7830269 10.1021/jm00002a008 Histamine H1 receptor 1
7830269 10.1021/jm00002a008 Histamine H2 receptor 1
16610798 10.1021/jm0504353 Histamine H4 receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine