Compound Detail
CHEMBL3185933
IODOPHTHALEIN SODIUM 🧪 Phase II
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🧪 Phase II
O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3185933 |
| Name | IODOPHTHALEIN SODIUM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CWHBCTLVWOCMPQ-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1160008 |
| Active Moiety | CHEMBL1160008 |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
29
Known Names
Molecular Properties
821.9
MW (Da)
6.32
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 8 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.88 | 6.64 | 13.2 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.19 | nM | 7.88 | PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 37.27 | nM | 7.43 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | IC50 | = | 112.4 | nM | 6.95 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 311.53 | nM | 6.51 | PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... | - |
| Unchecked | IC50 | = | 384.3 | nM | 6.42 | PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 3757.3 | nM | 5.42 | PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 5732.7 | nM | 5.24 | PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
Data from ChEMBL 36 via Core Engine