Compound Detail
CHEMBL5813875
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N[C@@H](CC2CCN(CCN(C)C)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
Basic Information
| ChEMBL ID | CHEMBL5813875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJUBRNFNBYNWEZ-AARKOHAPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
834.0
MW (Da)
2.76
ALogP
11
HBA
4
HBD
183.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 10.6 | 10.6 | 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 | = | 0.025 | nM | 10.6 | Radioligand Binding Assay: Human CGRP receptors expressed (consisting of CRLR an... | - |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 0.025 | nM | 10.6 | Radioligand binding assay: Radioligand binding assay. Human CGRP receptors expre... | - |
Data from ChEMBL 36 via Core Engine