Compound Detail
CHEMBL1598822
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Basic Information
| ChEMBL ID | CHEMBL1598822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWHUUAMFWJFHDE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.2
MW (Da)
5.02
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysocardiolipin acyltransferase 1 CHEMBL5169167 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysocardiolipin acyltransferase 1 | IC50 | = | 38.0 | nM | 7.42 | In Vitro Acyltransferase Assays: ALCAT1 enzymatic activity was determined by mea... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 4900.0 | nM | 5.31 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
Data from ChEMBL 36 via Core Engine