Compound Detail
CHEMBL1097558
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Basic Information
| ChEMBL ID | CHEMBL1097558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZSFDUMVCVVWKW-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
3.22
ALogP
5
HBA
2
HBD
85.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.27 | 5.605 | 537.5 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 537.48 | nM | 6.27 | PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 1020.03 | nM | 5.99 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 1643.15 | nM | 5.78 | PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... | - |
| Unchecked | IC50 | = | 2308.68 | nM | 5.64 | PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 3786.96 | nM | 5.42 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | IC50 | = | 4702.75 | nM | 5.33 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 5600.5 | nM | 5.25 | PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 6946.7 | nM | 5.16 | PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
Data from ChEMBL 36 via Core Engine