Compound Detail
CHEMBL515170
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Basic Information
| ChEMBL ID | CHEMBL515170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSJCAWWJIHDUAU-OSTNNTLRSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.44
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | IC50 | 6.0 | 5.1367 | 990.0 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | IC50 | = | 990.0 | nM | 6.0 | Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor expressed... | 17428923 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor | IC50 | = | 5780.0 | nM | 5.24 | Antagonist activity at PTH/PTH-related peptide receptor expressed in HKRK-B28 ce... | 17428923 |
| Alpha-2C adrenergic receptor | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of adrenergic Alpha-2C receptor | 17428923 |
| Alpha-1D adrenergic receptor | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of adrenergic Alpha-1D receptor | 17428923 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of 5HT2A receptor | 17428923 |
| Substance-K receptor | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of neurokinin 2 receptor | 17428923 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor | IC50 | = | 68000.0 | nM | 4.17 | Antagonist activity at PTH/PTH-related peptide receptor expressed in HKRK-B28 ce... | 17428923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17428923 | 10.1073/pnas.0605125104 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 6 |
| 17428923 | 10.1073/pnas.0605125104 | Alpha-2C adrenergic receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Alpha-2A adrenergic receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Substance-K receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Alpha-1D adrenergic receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | 5-hydroxytryptamine receptor 2A | 1 |
| 17428923 | 10.1073/pnas.0605125104 | 5-hydroxytryptamine receptor 2C | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Muscarinic acetylcholine receptor M5 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Histamine H1 receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | D(2) dopamine receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Alpha-1B adrenergic receptor | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-X-C chemokine receptor type 3 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-X-C chemokine receptor type 2 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-C chemokine receptor type 5 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-C chemokine receptor type 4 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-C chemokine receptor type 3 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-C chemokine receptor type 2 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | C-C chemokine receptor type 1 | 1 |
| 17428923 | 10.1073/pnas.0605125104 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine