Compound Detail
CHEMBL3907094
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Basic Information
| ChEMBL ID | CHEMBL3907094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGMSAIWKJCBSOV-MRXNPFEDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.26
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 6.3333 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human MIAPaCa2 cells assessed as growth inhibition by measu... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human BxPC3 cells assessed as growth inhibition by measurin... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human CFPAC cells assessed as growth inhibition by measurin... | - |
Data from ChEMBL 36 via Core Engine