Compound Detail
CHEMBL279392
CELIKALIM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL279392 |
| Name | CELIKALIM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZORATYFUTXFLJS-SJORKVTESA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.81
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.89 | 7.6125 | 13.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 13.0 | nM | 7.89 | In vitro evaluation for concentration to inhibit KCI (25 mM ) induced contractio... | - |
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibitory concentration that relaxes KCL induced contraction in rat de... | 10737752 |
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | In vitro evaluation for concentration to inhibit KCI (15 mM ) induced contractio... | - |
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibitory concentration that relaxed KCL induced contraction in rat de... | 10737753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737752 | 10.1021/jm9905099 | Rattus norvegicus | 3 |
| 10737753 | 10.1021/jm9905108 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(01)80198-0 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80198-0 | Unchecked | 2 |
| - | 10.1016/S0960-894X(01)81157-4 | Rattus norvegicus | 2 |
| 10737752 | 10.1021/jm9905099 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)81157-4 | No relevant target | 1 |
| 10737753 | 10.1021/jm9905108 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80354-6 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine