Compound Detail
CHEMBL93088
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Basic Information
| ChEMBL ID | CHEMBL93088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHKOPANDMUYNOI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL416078 |
| Active Moiety | CHEMBL416078 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.7
MW (Da)
4.07
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCH82 CHEMBL614191 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.75 | 4.6875 | 18000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCH82 | IC50 | = | 9000.0 | nM | 5.05 | Compound was evaluated for inhibitory activity against H82 small cell lung carci... | - |
| Trypanosoma brucei | IC50 | = | 18000.0 | nM | 4.75 | Compound was evaluated for growth brucei LAB 110 strain. | - |
| Trypanosoma brucei | IC50 | = | 18400.0 | nM | 4.74 | Compound was evaluated for growth brucei K243 strain. | - |
| Trypanosoma brucei | IC50 | = | 21000.0 | nM | 4.68 | Compound was evaluated for growth brucei K269 strain. | - |
| Trypanosoma brucei | IC50 | = | 26200.0 | nM | 4.58 | Compound was evaluated for growth brucei K243 As-10-3 strain. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00510-0 | Trypanosoma brucei | 4 |
| - | 10.1016/S0960-894X(96)00510-0 | NCI-H157 | 1 |
| - | 10.1016/S0960-894X(96)00510-0 | NCH82 | 1 |
Data from ChEMBL 36 via Core Engine