Compound Detail
CHEMBL536315
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)O)Cc2ccccc2)cs1)C(C)C.Cl
Basic Information
| ChEMBL ID | CHEMBL536315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZRVFTRFGFPQBY-TZPIVBKDSA-N |
| Parent Compound | CHEMBL1188424 |
| Active Moiety | CHEMBL1188424 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
655.9
MW (Da)
4.08
ALogP
8
HBA
4
HBD
157.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of rat brain tubulin polymerization | 18411048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18411048 | 10.1016/j.bmcl.2008.03.046 | 1A9 | 1 |
| 18411048 | 10.1016/j.bmcl.2008.03.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine