Compound Detail
CHEMBL2158051
XEVINAPANT 🧪 Phase III
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
🧪 Phase III
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL2158051 |
| Name | XEVINAPANT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | LSXUTRRVVSPWDZ-MKKUMYSQSA-N |
7
Targets
20
Activities
4
Assay Types
30
PK Parameters
20
Publications
8
Known Names
8
Indications
Molecular Properties
561.7
MW (Da)
2.62
ALogP
5
HBA
3
HBD
110.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Carcinoma, Squamous Cell Head and Neck Neoplasms Carcinoma, Non-Small-Cell Lung Glioma Leukemia, Myeloid, Acute Lymphoma Neoplasms Neoplasms
Activity Summary
IC50 12 meas. best 7.91
Ki 4 meas. best 8.72
EC50 3 meas. best 8.68
Kd 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| EVSA-T CHEMBL614295 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | IC50 | 7.91 | 7.6133 | 12.3 | 3 |
| MDA-MB-231 CHEMBL400 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | IC50 | 7.66 | 7.3 | 22.1 | 3 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 7.38 | 7.1167 | 42.0 | 3 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Ki | 7.18 | 7.18 | 66.4 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | Kd | 5.05 | 5.05 | 9000.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | Ki | 4.87 | 4.87 | 13500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3800.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1200.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4300.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 17400.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8300.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1100.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9600.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 57300.0 | ng.hr.mL-1 | Mus musculus |
| CL | 16.98 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Cmax | 5340.64 | nM | Mus musculus |
| Cmax | 1602.19 | nM | Mus musculus |
| Cmax | 2136.26 | nM | Mus musculus |
| Cmax | 10503.27 | nM | Mus musculus |
| Cmax | 6408.77 | nM | Mus musculus |
| Cmax | 462.86 | nM | Mus musculus |
| Cmax | 4272.52 | nM | Mus musculus |
| Cmax | 19226.32 | nM | Mus musculus |
| F | 31.0 | % | Mus musculus |
| F | 38.0 | % | Mus musculus |
| F | 46.0 | % | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
| T1/2 | 2.4 | hr | Mus musculus |
| T1/2 | 2.3 | hr | Mus musculus |
| T1/2 | 5.4 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine