Compound Detail
CHEMBL4650225
MURIZATOCLAX Phase I
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Phase I
CO[C@]1(CN2CCN3CCCC[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3
Basic Information
| ChEMBL ID | CHEMBL4650225 |
| Name | MURIZATOCLAX |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | BJTFTQIBRVBSBH-VCQPVEJUSA-N |
7
Targets
8
Activities
3
Assay Types
4
PK Parameters
18
Publications
3
Known Names
5
Indications
Molecular Properties
765.5
MW (Da)
6.44
ALogP
8
HBA
1
HBD
91.4
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Leukemia, Myeloid, Acute Lymphoma, Non-Hodgkin Multiple Myeloma Myelodysplastic Syndromes Neoplasms
Activity Summary
EC50 3 meas. best 7.89
Ki 3 meas. best 10.92
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 10.92 | 10.87 | 0.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 10.37 | 10.37 | 0.0 | 1 |
| NCI-H929 CHEMBL4296391 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| AMO1 CHEMBL4523558 | EC50 | 7.87 | 7.87 | 13.5 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 7.36 | 7.36 | 43.6 | 1 |
| OPM-2 CHEMBL2366353 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.7 | mL.min-1.g-1 | Homo sapiens |
| CL | 7.7 | mL.min-1.g-1 | Mus musculus |
| Fu | 0.0008 | - | Homo sapiens |
| Fu | 0.0004 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine