Compound Detail
CHEMBL483993
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Basic Information
| ChEMBL ID | CHEMBL483993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPKIJOOZVCXURK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
5
PK Parameters
12
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.13
ALogP
8
HBA
0
HBD
74.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.7 | 8.06 | 2.0 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.82 | 7.82 | 15.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 1220.0 | nM | Canis lupus familiaris |
| F | 48.0 | % | Canis lupus familiaris |
| T1/2 | 40.2 | hr | Canis lupus familiaris |
| Tmax | 0.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.98 | nM | 8.7 | Displacement of [125I]Tyr0-ovine CRF from CRF1 receptor in rat cortical membrane... | 19361210 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 15.2 | nM | 7.82 | Binding affinity to CRF1 receptor in human IMR32 cells | 19361210 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at CRF1 receptor in rat brain homogenates assessed as inhibi... | 19361210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361210 | 10.1021/jm9000242 | Canis familiaris | 9 |
| 19361210 | 10.1021/jm9000242 | Corticotropin-releasing factor receptor 1 | 6 |
| 19361210 | 10.1021/jm9000242 | Corticotropin-releasing factor receptor 2 | 3 |
| 19361210 | 10.1021/jm9000242 | Unchecked | 3 |
| 19361210 | 10.1021/jm9000242 | Alpha-1A adrenergic receptor | 1 |
| 19361210 | 10.1021/jm9000242 | Alpha-1B adrenergic receptor | 1 |
| 19361210 | 10.1021/jm9000242 | Alpha-2B adrenergic receptor | 1 |
| 19361210 | 10.1021/jm9000242 | Alpha-2C adrenergic receptor | 1 |
| 19361210 | 10.1021/jm9000242 | D(1A) dopamine receptor | 1 |
| 19361210 | 10.1021/jm9000242 | D(2) dopamine receptor | 1 |
| 19361210 | 10.1021/jm9000242 | Vasopressin V1a receptor | 1 |
| 19361210 | 10.1021/jm9000242 | Corticotropin-releasing factor-binding protein | 1 |
Data from ChEMBL 36 via Core Engine