Compound Detail
CHEMBL5766309
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Cc1nc[nH]c1C1CCN(C2CCN(C(=O)[C@@H](Cc3cc(C)c4[nH]ncc4c3)NC(=O)N3CCC(c4cc5ccccc5[nH]c4=O)CC3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5766309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLENFGVWYLLZFQ-PGUFJCEWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
703.9
MW (Da)
5.12
ALogP
6
HBA
4
HBD
146.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide 1 CHEMBL5293 | Ki | 10.1 | 10.1 | 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 | = | 0.079 | nM | 10.1 | Radioligand Binding Assay: Human CGRP receptors (consisting of CRLR and RAMP1) e... | - |
Data from ChEMBL 36 via Core Engine