Compound Detail
CHEMBL2356978
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Basic Information
| ChEMBL ID | CHEMBL2356978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOGVKVSFYBBUAJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL29188 |
| Active Moiety | CHEMBL29188 |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
4.90
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.35 | 5.6463 | 442.8 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 442.8 | nM | 6.35 | PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 1701.8 | nM | 5.77 | PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 2767.7 | nM | 5.56 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | IC50 | = | 2817.0 | nM | 5.55 | PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... | - |
| Unchecked | IC50 | = | 2926.0 | nM | 5.53 | PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 3133.1 | nM | 5.5 | PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 3324.7 | nM | 5.48 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 3695.2 | nM | 5.43 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine