Compound Detail
CHEMBL5749175
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Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC(N3CCC(c4nnc(C(=O)O)[nH]4)CC3)CC2)cc2cn[nH]c12
Basic Information
| ChEMBL ID | CHEMBL5749175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHTDFZHWXGJKAC-JGCGQSQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
734.9
MW (Da)
3.90
ALogP
8
HBA
5
HBD
196.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide 1 CHEMBL5293 | Ki | 10.3 | 10.3 | 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 | = | 0.05 | nM | 10.3 | Radioligand Binding Assay: Human CGRP receptors (consisting of CRLR and RAMP1) e... | - |
Data from ChEMBL 36 via Core Engine