Compound Detail
CHEMBL3196993
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Basic Information
| ChEMBL ID | CHEMBL3196993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCHNLKWQETXWGW-CAOOACKPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
0.79
ALogP
9
HBA
4
HBD
127.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.03 | 5.73 | 927.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.45 | 5.45 | 3524.3 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.05 | 5.05 | 8941.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 927.0 | nM | 6.03 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3524.31 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 3717.0 | nM | 5.43 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 8941.3 | nM | 5.05 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Data from ChEMBL 36 via Core Engine