Compound Detail
CHEMBL463158
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O=C(O)C(F)(F)F.O=C1C=C[C@@]23C[C@@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)SC3=C1
Basic Information
| ChEMBL ID | CHEMBL463158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKZIKEHYYWPCGF-IMAPBUGXSA-N |
| Parent Compound | CHEMBL1086886 |
| Active Moiety | CHEMBL1086886 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.89
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 510.0 | nM | 6.29 | Cytotoxicity against mouse P388 cells | 16378380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16378380 | 10.1021/np050333f | P388 | 1 |
Data from ChEMBL 36 via Core Engine