Compound Detail
CHEMBL1382320
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Basic Information
| ChEMBL ID | CHEMBL1382320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPVPCRMOVBLWQG-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
2.99
ALogP
6
HBA
1
HBD
88.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
EC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.17 | 1583.0 | 3 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 5.16 | 5.16 | 7002.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 5.02 | 4.835 | 9500.0 | 2 |
| Apelin receptor CHEMBL1628481 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1583.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 7002.0 | nM | 5.16 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| Unchecked | EC50 | = | 7875.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| C-C chemokine receptor type 6 | IC50 | = | 9500.0 | nM | 5.02 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the CCR6 recepto... | - |
| Apelin receptor | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-C chemokine receptor type 6 | IC50 | = | 22600.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Unchecked | EC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine