Compound Detail
CHEMBL5907647
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O=C(N[C@@H](CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(c2cc3ccccc3[nH]c2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL5907647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIQMLKRGQPLTKF-XDSPJLLDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
892.7
MW (Da)
4.88
ALogP
8
HBA
5
HBD
163.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 10.2 | 10.2 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 0.063 | nM | 10.2 | Radioligand Binding Assay: Human CGRP receptors expressed (consisting of CRLR an... | - |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 0.063 | nM | 10.2 | Radioligand binding assay: Radioligand binding assay. Human CGRP receptors expre... | - |
Data from ChEMBL 36 via Core Engine