Compound Detail
CHEMBL1790758
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CC[C@@H](C)[C@H](NC[C@@H](NC[C@@H](N)CS)[C@H](C)CC)C(=O)N[C@H]1CCOC1=O
Basic Information
| ChEMBL ID | CHEMBL1790758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSUQYMRCKYEGEO-IKIFYQGPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
0.68
ALogP
7
HBA
5
HBD
105.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 280.0 | nM | 6.55 | Activity against bovine Farnesyltransferase | 9301658 |
| NIH3T3 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Ras processing in v-Ras-transformed NIH 3T3 cell growth in soft ag... | 9301658 |
| Protein farnesyltransferase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of post-translational processing of v-Ras protein in NIH3T3 cells | 9651171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651171 | 10.1021/jm9800907 | Rat1 | 2 |
| 9301658 | 10.1021/jm970226l | Protein farnesyltransferase | 1 |
| 9301658 | 10.1021/jm970226l | NIH3T3 | 1 |
| 9301658 | 10.1021/jm970226l | Geranylgeranyl transferase type I | 1 |
| 9651171 | 10.1021/jm9800907 | NIH3T3 | 1 |
| 9651171 | 10.1021/jm9800907 | Protein farnesyltransferase | 1 |
| 8145221 | 10.1021/jm00032a004 | NIH3T3 | 1 |
| 8145221 | 10.1021/jm00032a004 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine