Compound Detail
CHEMBL4898267
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NC(=O)C1CCN(CCC(=O)N2CCc3cc4ccc3[C@@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)CC1
Basic Information
| ChEMBL ID | CHEMBL4898267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMGROSKWIPCLQP-YTTGMZPUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
3.76
ALogP
7
HBA
3
HBD
134.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.48 | 6.03 | 331.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 331.1 | nM | 6.48 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 759.0 | nM | 6.12 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 955.0 | nM | 6.02 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 3160.0 | nM | 5.5 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 8 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine