Compound Detail
CHEMBL1303599
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Basic Information
| ChEMBL ID | CHEMBL1303599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXZTYQUEABMZSU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.48
ALogP
5
HBA
2
HBD
68.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.58 | 4.58 | 26100.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 26100.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Matrix metalloproteinase-14 | IC50 | = | 31600.0 | nM | 4.5 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine