Compound Detail
CHEMBL12062
RWJ-69736 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL12062 |
| Name | RWJ-69736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STMYXSKGGILJBE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
2.11
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.19 | 9.185 | 0.7 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.65 | nM | 9.19 | Binding constant measured against Alpha-1A adrenergic receptor in human prostate... | 15664832 |
| Alpha-1A adrenergic receptor | Ki | = | 0.66 | nM | 9.18 | Binding affinity for human Alpha-1A adrenergic receptor expressed in COS cell me... | 10843225 |
| Alpha-1D adrenergic receptor | Ki | = | 80.0 | nM | 7.1 | Binding affinity for human Alpha-1D adrenergic receptor expressed in COS cell me... | 10843225 |
| Alpha-1B adrenergic receptor | Ki | = | 10000.0 | nM | 5.0 | Binding affinity for human Alpha-1B adrenergic receptor expressed in COS cell me... | 10843225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10843225 | 10.1016/s0960-894x(00)00169-4 | Alpha-1A adrenergic receptor | 1 |
| 10843225 | 10.1016/s0960-894x(00)00169-4 | Alpha-1B adrenergic receptor | 1 |
| 10843225 | 10.1016/s0960-894x(00)00169-4 | Alpha-1D adrenergic receptor | 1 |
| 10843225 | 10.1016/s0960-894x(00)00169-4 | Adrenergic receptors; alpha-1 A & B | 1 |
| 10843225 | 10.1016/s0960-894x(00)00169-4 | Alpha adrenergic receptor (1a and 1d) | 1 |
| 15664832 | 10.1016/j.bmcl.2004.11.032 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine