Compound Detail
CHEMBL10877
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CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
Basic Information
| ChEMBL ID | CHEMBL10877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTMCDPJASCYAMZ-JCOPYZAKSA-M |
| Parent Compound | CHEMBL1204431 |
| Active Moiety | CHEMBL1204431 |
1
Targets
2
Activities
2
Assay Types
13
PK Parameters
4
Publications
0
Known Names
Molecular Properties
564.1
MW (Da)
7.23
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2390.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4937.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1040.0 | ng.hr.mL-1 | Canis lupus familiaris |
| Cmax | 2215919.16 | nM | Rattus norvegicus |
| Cmax | 1263960.29 | nM | Canis lupus familiaris |
| F | 30.0 | % | Rattus norvegicus |
| F | 21.1 | % | Canis lupus familiaris |
| F | 32.0 | % | Mus musculus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
| T1/2 | 1.24 | hr | Rattus norvegicus |
| Tmax | 0.7 | hr | Rattus norvegicus |
| Tmax | 0.4 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | EC50 | = | 0.1 | nM | 10.0 | EC50 is measured as inhibition of ras processing in a whole cell assay for farne... | 10328287 |
| Protein farnesyltransferase | IC50 | = | 0.7 | nM | 9.15 | In vitro inhibitory activity was evaluated against farnesyltransferase (FTase) | 10328287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328287 | 10.1016/s0960-894x(99)00144-4 | Rattus norvegicus | 8 |
| 10328287 | 10.1016/s0960-894x(99)00144-4 | Canis familiaris | 6 |
| 10328287 | 10.1016/s0960-894x(99)00144-4 | Protein farnesyltransferase | 2 |
| 10328287 | 10.1016/s0960-894x(99)00144-4 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine