Compound Detail
CHEMBL24981
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Basic Information
| ChEMBL ID | CHEMBL24981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNPHPGSVPQWUHP-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
1.86
ALogP
7
HBA
2
HBD
96.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.7 | 8.65 | 2.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 2.0 | nM | 8.7 | Binding constant measured against Alpha-1A adrenergic receptor in human prostate... | 15664832 |
| Adrenergic receptor alpha-1 | Kd | = | 2.512 | nM | 8.6 | pA2 for Alpha-1 adrenergic receptor from human prostate. | 9135028 |
| Alpha-1A adrenergic receptor | Ki | = | 2.512 | nM | 8.6 | Binding affinity was tested on human Alpha-1A adrenergic receptor | 9135028 |
| Alpha-1D adrenergic receptor | Ki | = | 2.512 | nM | 8.6 | Binding affinity was tested on human Alpha-1D adrenergic receptor | 9135028 |
| Alpha-1B adrenergic receptor | Ki | = | 12.59 | nM | 7.9 | Binding affinity was tested on human Alpha-1B adrenergic receptor | 9135028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135028 | 10.1021/jm960697s | Canis familiaris | 2 |
| 9135028 | 10.1021/jm960697s | NON-PROTEIN TARGET | 1 |
| 9135028 | 10.1021/jm960697s | Alpha-1A adrenergic receptor | 1 |
| 9135028 | 10.1021/jm960697s | Alpha-1B adrenergic receptor | 1 |
| 9135028 | 10.1021/jm960697s | Alpha-1D adrenergic receptor | 1 |
| 9135028 | 10.1021/jm960697s | Adrenergic receptor alpha-1 | 1 |
| 9135028 | 10.1021/jm960697s | Unchecked | 1 |
| 15664832 | 10.1016/j.bmcl.2004.11.032 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine