Compound Detail
CHEMBL291580
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Basic Information
| ChEMBL ID | CHEMBL291580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRJFAINHZHMKOK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.9
MW (Da)
3.91
ALogP
6
HBA
0
HBD
74.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.17 | 8.135 | 6.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 0.68 | nM | 9.17 | Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by ger... | 12113834 |
| Protein farnesyltransferase | IC50 | = | 6.8 | nM | 8.17 | Inhibitor of Farnesyl protein transferase (FTPase) required to reduce radiolabel... | 12113834 |
| Protein farnesyltransferase | IC50 | = | 7.95 | nM | 8.1 | The concentration required to displace 50% of a highly potent radiolabeled FPTas... | 12113834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113834 | 10.1016/s0960-894x(02)00308-6 | Protein farnesyltransferase | 2 |
| 12113834 | 10.1016/s0960-894x(02)00308-6 | Geranylgeranyl transferase type I | 2 |
Data from ChEMBL 36 via Core Engine