Compound Detail
CHEMBL1718013
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Basic Information
| ChEMBL ID | CHEMBL1718013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOQMETKMNGYFQC-RAXLEYEMSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
3.76
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.51 | 5.36 | 3120.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.5 | 5.195 | 3150.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.42 | 5.42 | 3770.0 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 4.01 | 4.01 | 97300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 3120.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3150.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 3770.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 6236.6 | nM | 5.21 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 13000.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Phosphomannomutase 2 | IC50 | = | 97300.0 | nM | 4.01 | PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescenc... | - |
Data from ChEMBL 36 via Core Engine