Compound Detail
CHEMBL100158
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Basic Information
| ChEMBL ID | CHEMBL100158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IETYOJKKSVYFGS-DYUFWOLASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
-2.30
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.29 | 4.29 | 51800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 51800.0 | nM | 4.29 | Concentration required to inhibit 50% of human epidermoid KB cell growth was mea... | 9667977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667977 | 10.1021/jm9801814 | Sarcoma-180 | 2 |
| 9667977 | 10.1021/jm9801814 | L1210 | 1 |
| 9667977 | 10.1021/jm9801814 | KB | 1 |
Data from ChEMBL 36 via Core Engine