Compound Detail
CHEMBL98434
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Basic Information
| ChEMBL ID | CHEMBL98434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKZLNLDWNBISMJ-ZWKOTPCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.55
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SB-204269 binding site CHEMBL612515 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SB-204269 binding site | Ki | = | 9.12 | nM | 8.04 | Inhibition of [3H]-SB 204269 binding to rat forebrain membranes. | 8917640 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 10.0 | nM | 8.0 | Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]... | 10021946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021946 | 10.1016/s0960-894x(98)00728-8 | Rattus norvegicus | 5 |
| 10021946 | 10.1016/s0960-894x(98)00728-8 | 5-hydroxytryptamine receptor 1D | 4 |
| 8917640 | 10.1021/jm960535w | Mus musculus | 2 |
| 8917640 | 10.1021/jm960535w | SB-204269 binding site | 1 |
Data from ChEMBL 36 via Core Engine