Compound Detail
CHEMBL501603
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Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC3(CCN(C)CC3)CC2)cc2cn[nH]c12
Basic Information
| ChEMBL ID | CHEMBL501603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRZHXNOUBFMSNO-WJOKGBTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
4.97
ALogP
6
HBA
2
HBD
114.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 10.36 | 10.36 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 0.044 | nM | 10.36 | Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells a... | 19467597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19467597 | 10.1016/j.bmcl.2009.04.150 | Calcitonin gene-related peptide type 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine