Compound Detail
CHEMBL3188653
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Basic Information
| ChEMBL ID | CHEMBL3188653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHELOZJAKXYVBE-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
539.5
MW (Da)
8.26
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.73 | 6.4314 | 187.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 187.0 | nM | 6.73 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 239.0 | nM | 6.62 | PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 251.6 | nM | 6.6 | PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 436.4 | nM | 6.36 | PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 485.48 | nM | 6.31 | PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 537.8 | nM | 6.27 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 735.4 | nM | 6.13 | PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... | - |
Data from ChEMBL 36 via Core Engine