Compound Detail
CHEMBL2431768
LCL-161 🧪 Phase II
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🧪 Phase II
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL2431768 |
| Name | LCL-161 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UFPFGVNKHCLJJO-SSKFGXFMSA-N |
7
Targets
46
Activities
3
Assay Types
1
PK Parameters
20
Publications
4
Known Names
7
Indications
Molecular Properties
500.6
MW (Da)
3.85
ALogP
6
HBA
2
HBD
91.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Breast Neoplasms Multiple Myeloma Polycythemia Vera Primary Myelofibrosis Primary Myelofibrosis Neoplasms Pancreatic Neoplasms
Activity Summary
IC50 34 meas. best 9.4
EC50 9 meas. best 9.4
Kd 3 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | IC50 | 9.4 | 7.4009 | 0.4 | 11 |
| Unchecked CHEMBL612545 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| SK-OV-3 CHEMBL614925 | EC50 | 9.0 | 8.76 | 1.0 | 2 |
| MDA-MB-231 CHEMBL400 | EC50 | 8.11 | 7.5675 | 7.8 | 4 |
| MDA-MB-231 CHEMBL400 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Baculoviral IAP repeat-containing protein 7 CHEMBL1075127 | IC50 | 8.05 | 7.935 | 9.0 | 2 |
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | Kd | 7.98 | 7.98 | 10.4 | 1 |
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | IC50 | 7.96 | 7.8067 | 11.0 | 6 |
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | Kd | 7.89 | 7.89 | 12.9 | 1 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 7.52 | 7.1762 | 30.0 | 13 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | EC50 | 7.46 | 7.005 | 35.0 | 2 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Kd | 7.28 | 7.28 | 52.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine