Compound Detail
CHEMBL5802075
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CCOC(=O)c1nnc(C2CCN(C3CCN(C(=O)[C@@H](Cc4cc(C)c5[nH]ncc5c4)NC(=O)N4CCC(c5cc6ccccc6[nH]c5=O)CC4)CC3)CC2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5802075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBZJVLNNWXGGTH-UUWRZZSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
762.9
MW (Da)
4.38
ALogP
9
HBA
4
HBD
185.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide 1 CHEMBL5293 | Ki | 10.2 | 10.2 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide 1 | Ki | = | 0.063 | nM | 10.2 | Radioligand Binding Assay: Human CGRP receptors (consisting of CRLR and RAMP1) e... | - |
Data from ChEMBL 36 via Core Engine