Compound Detail
CHEMBL4638938
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Cc1cc(C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N[C@@H](CCCCN)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
Basic Information
| ChEMBL ID | CHEMBL4638938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDCKQHZWVCORCM-IOWSJCHKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
736.9
MW (Da)
2.22
ALogP
10
HBA
5
HBD
203.3
PSA (Ų)
0.12
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 10.6 | 10.6 | 0.0 | 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 | = | 0.02512 | nM | 10.6 | Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf... | 32558564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32558564 | 10.1021/acs.jmedchem.0c01003 | Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | 2 |
| 32558564 | 10.1021/acs.jmedchem.0c01003 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine