Compound Detail
CHEMBL52975
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Basic Information
| ChEMBL ID | CHEMBL52975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYBHYVCTXZJLET-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
3.79
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.17 | 6.17 | 675.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.36 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 3.0 | hr | - |
| Vd | 0.55 | kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4.3 | nM | 8.37 | In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed i... | 11459639 |
| Protein farnesyltransferase | IC50 | = | 37.0 | nM | 7.43 | In vitro ability to displace radiolabeled FTI from farnesyltransferase in cultur... | 11459639 |
| Geranylgeranyl transferase type I | IC50 | = | 675.0 | nM | 6.17 | In vitro inhibitory activity to reduce the human geranylgeranyl transferase type... | 11459639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Protein farnesyltransferase | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Canis familiaris | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Geranylgeranyl transferase type I | 1 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine