Compound Detail
CHEMBL1566994
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Basic Information
| ChEMBL ID | CHEMBL1566994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPYMPELJQZQIBQ-RMKNXTFCSA-N |
10
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
2.41
ALogP
8
HBA
3
HBD
135.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.62 | 5.1 | 2410.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.52 | 4.52 | 30397.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.34 | 4.34 | 45900.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.26 | 4.26 | 55100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine