Compound Detail
CHEMBL318667
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H]1[C@H](OC)CC(=O)N2CCC[C@H]2[C@H](OC)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)c2nc(cs2)C(=O)O[C@H](C)[C@H](N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL318667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JATUNNUADHEUQX-LHSPRGKJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
813.1
MW (Da)
4.09
ALogP
11
HBA
2
HBD
159.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.23 | 7.23 | 58.5 | 1 |
| L1210 CHEMBL386 | IC50 | 6.96 | 6.96 | 110.8 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 58.5 | nM | 7.23 | Compound was evaluated for antiproliferative activity against human colon adenoc... | 9873636 |
| L1210 | IC50 | = | 110.8 | nM | 6.96 | Compound was evaluated for antiproliferative activity against murine leukemia (L... | 9873636 |
| Tubulin alpha chain | IC50 | = | 39000.0 | nM | 4.41 | Compound was tested in vitro for inhibition of tubulin polymerization | 9873636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873636 | 10.1016/s0960-894x(98)00511-3 | HT-29 | 1 |
| 9873636 | 10.1016/s0960-894x(98)00511-3 | L1210 | 1 |
| 9873636 | 10.1016/s0960-894x(98)00511-3 | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine