Compound Detail
CHEMBL197462
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Basic Information
| ChEMBL ID | CHEMBL197462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JILRJPMFUBNRBH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.28
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 6.7 | 6.7 | 200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 2.0 | % | Rattus norvegicus |
| T1/2 | 0.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 200.0 | nM | 6.7 | Inhibitory constant against human Bradykinin receptor B1 expressed in chinese ha... | 15837330 |
| B1 bradykinin receptor | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor e... | 15588075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837330 | 10.1016/j.bmcl.2005.02.077 | ADMET | 3 |
| 15837330 | 10.1016/j.bmcl.2005.02.077 | B1 bradykinin receptor | 1 |
| 15588075 | 10.1021/jm049394l | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine