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Compound Detail

CHEMBL12160

BURIMAMIDE
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C/N=C(\S)NCCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12160
Name BURIMAMIDE
Phase Preclinical
Structure Type MOL
InChI Key HXRBAVXGYZUSED-UHFFFAOYSA-N
5
Targets
12
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
1.24
ALogP
2
HBA
3
HBD
53.1
PSA (Ų)
0.30
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 C9H16N4S
MW 212.32
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.56

Activity Summary

Ki 7 meas. best 7.4
Kd 4 meas. best 7.0
EC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
 EC50 7.7 7.7 19.9 1
Histamine H4 receptor
CHEMBL3759
 Ki 7.4 7.075 39.8 2
Histamine H3 receptor
CHEMBL4124
 Ki 7.16 7.16 70.0 1
Histamine H3 receptor
CHEMBL264
 Ki 7.08 7.08 84.0 1
Histamine H3 receptor
CHEMBL264
 Kd 7.0 7.0 100.0 1
Histamine H3 receptor
CHEMBL5076
 Kd 7.0 7.0 100.0 2
Histamine H2 receptor
CHEMBL1941
 Ki 5.4 5.4 3981.1 2
Histamine H2 receptor
CHEMBL1941
 Kd 5.11 5.11 7800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 19.95 nM 7.7 Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... 21044842
Histamine H4 receptor Ki = 39.81 nM 7.4 Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... 21044842
Histamine H3 receptor Ki = 70.0 nM 7.16 In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex. 7650687
Histamine H3 receptor Ki = 84.0 nM 7.08 Binding affinity to the human histamine H3 receptor 12954048
Histamine H3 receptor Kd = 100.0 nM 7.0 In vitro inhibitory effect of histamine H3 antagonist on the electrically evoked... 7783156
Histamine H3 receptor Kd = 100.0 nM 7.0 Agonist activity at histamine H3 receptor in guinea pig ileum 21044842
Histamine H3 receptor Kd = 100.0 nM 7.0 Binding affinity to histamine H3 receptor (unknown origin) -
Histamine H4 receptor Ki = 180.0 nM 6.75 Binding affinity to the human histamine H4 receptor 12954048
Histamine H2 receptor Ki = 3981.07 nM 5.4 Displacement of [125 I]iodoaminopotentidine bound to membranes of CHO cells expr... 7783156
Histamine H2 receptor Ki = 3981.07 nM 5.4 Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expr... 21044842
Histamine H2 receptor Kd = 7800.0 nM 5.11 Binding affinity to histamine H2 receptor (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-004-0012-z Rattus norvegicus 8
21044842 10.1016/j.bmcl.2010.10.041 Histamine H4 receptor 3
17751 10.1021/jm00217a007 Histamine H2 receptor 2
7783156 10.1021/jm00012a025 Histamine H3 receptor 1
7783156 10.1021/jm00012a025 Histamine H1 receptor 1
7783156 10.1021/jm00012a025 Histamine H2 receptor 1
1967317 10.1021/jm00163a001 Histamine H1 receptor 1
1967317 10.1021/jm00163a001 Histamine H2 receptor 1
12954048 10.1021/jm0341047 Histamine H3 receptor 1
12954048 10.1021/jm0341047 Histamine H4 receptor 1
6102608 10.1021/jm00177a029 Rattus norvegicus 1
7650687 10.1021/jm00017a018 Histamine H3 receptor 1
21044842 10.1016/j.bmcl.2010.10.041 Histamine H2 receptor 1
21044842 10.1016/j.bmcl.2010.10.041 Histamine H3 receptor 1
- 10.1007/s00044-004-0012-z Histamine H3 receptor 1
- 10.1007/s00044-004-0012-z Histamine H2 receptor 1

Data from ChEMBL 36 via Core Engine