Compound Detail
CHEMBL1790750
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CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(=O)O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Basic Information
| ChEMBL ID | CHEMBL1790750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZBJVSPOAOKUHC-OLOOCYQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
1.86
ALogP
7
HBA
6
HBD
127.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.91 | 9.91 | 0.1 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.123 | nM | 9.91 | Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltra... | 9651171 |
| Geranylgeranyl transferase type I | IC50 | = | 10.0 | nM | 8.0 | Inhibition of bovine Geranylgeranyl transferase type I | 9651171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651171 | 10.1021/jm9800907 | Protein farnesyltransferase | 1 |
| 9651171 | 10.1021/jm9800907 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine