Compound Detail
CHEMBL132572
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Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cnc2cc3c(cc2c1Cl)OCO3
Basic Information
| ChEMBL ID | CHEMBL132572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INWRHSFSXDNDLS-FYYLOGMGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
5.90
ALogP
7
HBA
0
HBD
58.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.6 | 5.555 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against Geranylgeranyl transferase type I | 9406600 |
| Protein farnesyltransferase | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of Farnesyltransferase (FPT) in FPT Ras/TCA assay | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 3 |
| 9406600 | 10.1021/jm970291v | Geranylgeranyl transferase type I | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine