Compound Detail
CHEMBL2371375
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CC[C@H](C)[C@H](NC(=O)[C@@H](NCCCS)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371375 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HLPYFIXSYAAADB-VGWMRTNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.7
MW (Da)
1.77
ALogP
6
HBA
5
HBD
107.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 29.0 | nM | 7.54 | Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain | 8145221 |
| Geranylgeranyl transferase type I | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against bovine type-1 geranylgeranyl transferase. | 8145221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145221 | 10.1021/jm00032a004 | Protein farnesyltransferase | 1 |
| 8145221 | 10.1021/jm00032a004 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine