Compound Detail
CHEMBL1379600
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Basic Information
| ChEMBL ID | CHEMBL1379600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCLMDODQSDGBRB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1613157 |
| Active Moiety | CHEMBL1613157 |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.74
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.02
EC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.02 | 6.02 | 964.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.18 | 3265.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.115 | 73380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 964.6 | nM | 6.02 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 3265.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 13430.0 | nM | 4.87 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 73380.0 | nM | 4.13 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 78660.0 | nM | 4.1 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine