Compound Detail
CHEMBL1335945
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Basic Information
| ChEMBL ID | CHEMBL1335945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOIMZHURGRDWAJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
2.68
ALogP
5
HBA
1
HBD
56.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.85 | 5.85 | 1423.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.95 | 4.95 | 11212.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 1423.0 | nM | 5.85 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Heat shock protein HSP90 | IC50 | = | 11212.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine