Compound Detail
CHEMBL433577
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O=C(NCc1cccnc1)[C@@H]1CCCCN1C1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21
Basic Information
| ChEMBL ID | CHEMBL433577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCMMFESPZVINMW-XADRRFQNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
604.8
MW (Da)
6.01
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.40
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 7.75 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase | 15501060 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase | 15501060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501060 | 10.1016/j.bmcl.2004.09.020 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine