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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

Known Names

AMG 397 AMG-397 Murizatoclax
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
USAN Stem -toclax
USAN Year 2020

Extended Properties

Molecular Formula C42H57ClN4O5S
MW 765.46
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 0.06

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

PubMed DOI Target Context # Activities
37114951 10.1021/acs.jmedchem.2c01953 ADMET 7
33253879 10.1016/j.bmcl.2020.127717 MOLM-13 5
37114951 10.1021/acs.jmedchem.2c01953 No relevant target 4
37114951 10.1021/acs.jmedchem.2c01953 Cytochrome P450 2C8 1
38597264 10.1021/acs.jmedchem.3c01998 MV4-11 1
38597264 10.1021/acs.jmedchem.3c01998 NCI-H929 1
38597264 10.1021/acs.jmedchem.3c01998 AMO1 1
38597264 10.1021/acs.jmedchem.3c01998 Induced myeloid leukemia cell differentiation protein Mcl-1 1
37114951 10.1021/acs.jmedchem.2c01953 Cytochrome P450 2D6 1
37114951 10.1021/acs.jmedchem.2c01953 Cytochrome P450 2C9 1
37114951 10.1021/acs.jmedchem.2c01953 Cytochrome P450 2C19 1
37114951 10.1021/acs.jmedchem.2c01953 Cytochrome P450 1A2 1
37114951 10.1021/acs.jmedchem.2c01953 MOLP-8 1
37114951 10.1021/acs.jmedchem.2c01953 Unchecked 1
33253879 10.1016/j.bmcl.2020.127717 Bcl-2-like protein 1 1
33253879 10.1016/j.bmcl.2020.127717 Apoptosis regulator Bcl-2 1
33253879 10.1016/j.bmcl.2020.127717 OPM-2 1
33253879 10.1016/j.bmcl.2020.127717 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine