Compound Detail
CHEMBL2106004
BISOXATIN ACETATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2106004 |
| Name | BISOXATIN ACETATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZCBJDQBSLZREAA-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
6
Known Names
1
Indications
Molecular Properties
417.4
MW (Da)
3.81
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Constipation
ATC Classification
A06AB09
bisoxatin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
Activity Summary
IC50 7 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.1457 | 2273.6 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2273.6 | nM | 5.64 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
| Unchecked | IC50 | = | 3260.4 | nM | 5.49 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | IC50 | = | 5753.2 | nM | 5.24 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 9188.1 | nM | 5.04 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 9225.5 | nM | 5.04 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 13961.1 | nM | 4.86 | PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 19729.1 | nM | 4.71 | PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
Data from ChEMBL 36 via Core Engine