Compound Detail
CHEMBL24665
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Basic Information
| ChEMBL ID | CHEMBL24665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFUYVKMAGIJYKB-UHFFFAOYSA-N |
4
Targets
10
Activities
4
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.60
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 9.05
EC50 3 meas. best 6.6
Ki 2 meas. best 5.9
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 9.05 | 9.03 | 0.9 | 2 |
| Histamine H1 receptor CHEMBL231 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 5.8 | 5.8 | 1584.9 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 5.21 | 5.21 | 6165.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 0.8913 | nM | 9.05 | Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 ... | 9873585 |
| Histamine H1 receptor | Kd | = | 0.9772 | nM | 9.01 | Compound was tested for the contractile effects antagonized by mepyramine (1-100... | 9873585 |
| Histamine H1 receptor | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cel... | 21044842 |
| Histamine H1 receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against human Histamine H1 receptor | 14667234 |
| Histamine H4 receptor | Ki | = | 1258.93 | nM | 5.9 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H4 receptor | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human recombinant histamine H4 receptor expressed in Sf9 cel... | 21044842 |
| Histamine H3 receptor | Kd | = | 6165.95 | nM | 5.21 | Compound was tested for the agonist activity against histamine H3 receptor of gu... | 9873585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731015 | 10.1021/jm00008a007 | Histamine H1 receptor | 13 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H1 receptor | 10 |
| 14667234 | 10.1021/jm030936t | Histamine H1 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 7731015 | 10.1021/jm00008a007 | Histamine H2 receptor | 2 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H1 receptor | 2 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H2 receptor | 1 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H3 receptor | 1 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Muscarinic acetylcholine receptor M3 | 1 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine