Compound Detail
CHEMBL4634646
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CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CC2(CC3)NC(=O)NC2=O)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4634646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEPMDWDQKPFENZ-CTLOQAHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
2.72
ALogP
5
HBA
4
HBD
132.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 5.32 | 5.32 | 4800.0 | 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 | = | 4800.0 | nM | 5.32 | Inhibition of human CLR/RAMP1 | 32058712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32058712 | 10.1021/acs.jmedchem.9b01810 | Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | 1 |
Data from ChEMBL 36 via Core Engine