Compound Detail
CHEMBL93014
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Basic Information
| ChEMBL ID | CHEMBL93014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKVPLZMHEDIURE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL41629 |
| Active Moiety | CHEMBL41629 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.8
MW (Da)
6.02
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.9 | 6.295 | 125.0 | 4 |
| NCH82 CHEMBL614191 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| NCI-H157 CHEMBL614783 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 125.0 | nM | 6.9 | Compound was evaluated for growth brucei LAB 110 strain. | - |
| Trypanosoma brucei | IC50 | = | 690.0 | nM | 6.16 | Compound was evaluated for growth brucei K269 strain. | - |
| Trypanosoma brucei | IC50 | = | 780.0 | nM | 6.11 | Compound was evaluated for growth brucei K243 As-10-3 strain. | - |
| Trypanosoma brucei | IC50 | = | 980.0 | nM | 6.01 | Compound was evaluated for growth brucei K243 strain. | - |
| NCH82 | IC50 | = | 1500.0 | nM | 5.82 | Compound was evaluated for inhibitory activity against H82 small cell lung carci... | - |
| NCI-H157 | IC50 | = | 2100.0 | nM | 5.68 | Compound was evaluated for inhibitory activity against H157 non-small cell lung ... | - |
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