Compound Detail
CHEMBL395718
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Cn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL395718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNFHGBIVRVUGCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
5.23
ALogP
9
HBA
0
HBD
91.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FTase by SPA | 17316920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17316920 | 10.1016/j.ejmech.2006.12.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine