Compound Detail
CHEMBL1564638
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Basic Information
| ChEMBL ID | CHEMBL1564638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNRINJTUILGZIP-YWEYNIOJSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
2.12
ALogP
3
HBA
2
HBD
44.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.24
IC50 3 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.58 | 4.58 | 26500.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.24 | 4.24 | 58100.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.21 | 4.21 | 61100.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 20400.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 26500.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 33000.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 58100.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 61100.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 68000.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine