Compound Detail
CHEMBL269646
TIOTIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL269646 |
| Name | TIOTIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YDDXVAXDYKBWDX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
Molecular Properties
312.4
MW (Da)
0.33
ALogP
6
HBA
5
HBD
135.0
PSA (Ų)
0.17
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 8.25
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Ki | 8.25 | 7.875 | 5.6 | 2 |
| Histamine H2 receptor CHEMBL1941 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 5.623 | nM | 8.25 | Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes... | 1613748 |
| Histamine H2 receptor | Ki | = | 18.0 | nM | 7.75 | Displacement of [125I]Aminopotentidine from human recombinant histamine H2 recep... | 23403082 |
| Histamine H2 receptor | IC50 | = | 22.0 | nM | 7.66 | Displacement of [125I]Aminopotentidine from human recombinant histamine H2 recep... | 23403082 |
| Histamine H2 receptor | Ki | = | 31.62 | nM | 7.5 | Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimu... | 6131129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| 2894467 | 10.1021/jm00398a028 | Rattus norvegicus | 3 |
| 23403082 | 10.1016/j.bmcl.2013.01.025 | Histamine H2 receptor | 3 |
| 6131129 | 10.1021/jm00356a005 | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1007/s00044-004-0012-z | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 2 |
| 1613748 | 10.1021/jm00090a013 | Histamine H2 receptor | 2 |
| 6131129 | 10.1021/jm00356a005 | Canis familiaris | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| 2894467 | 10.1021/jm00398a028 | Histamine H2 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine