Compound Detail
CHEMBL5747971
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CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5747971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HENCBPGDMCRTPM-PVXQIPPMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
801.0
MW (Da)
4.56
ALogP
8
HBA
4
HBD
162.7
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 10.4 | 10.4 | 0.0 | 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 | = | 0.04 | nM | 10.4 | Radioligand Binding Assay: Human CGRP receptors expressed (consisting of CRLR an... | - |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 0.04 | nM | 10.4 | Radioligand binding assay: Radioligand binding assay. Human CGRP receptors expre... | - |
Data from ChEMBL 36 via Core Engine