Compound Detail
CHEMBL380514
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CC(C)N1C(=O)C(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL380514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWLUJBRNLJVDMS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
4.83
ALogP
4
HBA
2
HBD
97.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Ki 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 1060.0 | nM | 5.97 | Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10... | 16527483 |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | IC50 | = | 1810.0 | nM | 5.74 | Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells me... | 16527483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16527483 | 10.1016/j.bmcl.2006.02.051 | Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | 2 |
Data from ChEMBL 36 via Core Engine