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

CHEMBL18661

IMMEPIP
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
c1nc(CC2CCNCC2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18661
Name IMMEPIP
Phase Preclinical
Structure Type MOL
InChI Key MCNGUYXRBCIGOV-UHFFFAOYSA-N
4
Targets
27
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

165.2
MW (Da)
0.95
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.68
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 C9H15N3
MW 165.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.10

Activity Summary

Ki 17 meas. best 9.52
EC50 10 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 EC50 10.4 9.7333 0.0 6
Histamine H3 receptor
CHEMBL264
 Ki 9.52 9.3656 0.3 9
Histamine H3 receptor
CHEMBL5076
 Ki 9.4 9.4 0.4 1
Histamine H4 receptor
CHEMBL3759
 EC50 7.8 7.525 15.8 4
Histamine H4 receptor
CHEMBL3759
 Ki 7.7 7.684 19.9 5
ADMET
CHEMBL612558
 Ki 4.79 4.79 16218.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor EC50 = 0.03981 nM 10.4 Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... 21044842
Histamine H3 receptor EC50 = 0.1259 nM 9.9 Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells ... 15771452
Histamine H3 receptor EC50 = 0.1318 nM 9.88 Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... 14640553
Histamine H3 receptor EC50 = 0.1318 nM 9.88 Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... 15115383
Histamine H3 receptor Ki = 0.3 nM 9.52 Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor e... 20690643
Histamine H3 receptor Ki = 0.3 nM 9.52 Displacement of [3H] (R)-alpha-methylhistamine from human recombinant histamine ... 20541426
Histamine H3 receptor Ki = 0.4 nM 9.4 Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in guinea... 16246552
Histamine H3 receptor Ki = 0.4074 nM 9.39 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... 18433114
Histamine H3 receptor Ki = 0.4786 nM 9.32 Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... 14640553
Histamine H3 receptor Ki = 0.4786 nM 9.32 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... 15115383
Histamine H3 receptor Ki = 0.4786 nM 9.32 Displacement of [3H]-NR-methylhistamine from human histamine H3 receptor express... 26390077
Histamine H3 receptor Ki = 0.5012 nM 9.3 Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expres... 15771452
Histamine H3 receptor Ki = 0.5012 nM 9.3 Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... 21044842
Histamine H3 receptor Ki = 0.5012 nM 9.3 Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells a... 22003888
Histamine H3 receptor EC50 = 0.67 nM 9.17 Agonist activity at human histamine H3 receptor expressed in CHO cells assessed ... 20690643
Histamine H3 receptor EC50 = 0.67 nM 9.17 Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 ... 20541426
Histamine H4 receptor EC50 = 15.85 nM 7.8 Agonist activity at human histamine H4 receptor 21062081
Histamine H4 receptor EC50 = 15.85 nM 7.8 Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... 21044842
Histamine H4 receptor Ki = 19.95 nM 7.7 Displacement of [3H]histamine binding to SK-N-MC cell membranes expressing human... 15771452
Histamine H4 receptor Ki = 19.95 nM 7.7 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
20541426 10.1016/j.bmc.2010.04.052 Histamine H3 receptor 4
20690643 10.1021/jm100643t Histamine H3 receptor 3
14640553 10.1021/jm030905y Histamine H4 receptor 3
21044842 10.1016/j.bmcl.2010.10.041 Histamine H4 receptor 3
15115383 10.1021/jm049932u Histamine receptor (H3 and H4) 3
21044842 10.1016/j.bmcl.2010.10.041 Histamine H3 receptor 3
15771452 10.1021/jm049475h Histamine H3 receptor 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
18433114 10.1021/jm7014149 Histamine H3 receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
26390077 10.1021/acs.jmedchem.5b00982 Histamine H3 receptor 2
8308858 10.1021/jm00029a002 Histamine H3 receptor 2
8308858 10.1021/jm00029a002 ADMET 2
15115383 10.1021/jm049932u Histamine H4 receptor 2
15115383 10.1021/jm049932u Histamine H3 receptor 2
15771452 10.1021/jm049475h Histamine H2 receptor 1
15771452 10.1021/jm049475h Histamine H4 receptor 1
10197963 10.1021/jm980408v Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine