OBATOCLAX MESYLATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 39200FJ43J
Parent Compound: OBATOCLAX

Structure

InChI Key ZFKXDVMHNXPEIY-PEZBNFGJSA-N
Smiles COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C.CS(=O)(=O)O
InChI
InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21-22H,1-3H3;1H3,(H,2,3,4)/b19-10-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3O4S
Molecular Weight 413.5
AlogP 4.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 53.17
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Apoptosis regulator Bcl-2 inhibitor INHIBITOR PubMed PubMed PubMed

Target Conservation

Protein: Apoptosis regulator Bcl-2
Description: Apoptosis regulator Bcl-2
Organism : Homo sapiens
P10415 ENSG00000171791
Protein: Apoptosis regulator Bcl-X
Description: Bcl-2-like protein 1
Organism : Homo sapiens
Q07817 ENSG00000171552
Protein: Induced myeloid leukemia cell differentiation protein Mcl-1
Description: Induced myeloid leukemia cell differentiation protein Mcl-1
Organism : Homo sapiens
Q07820 ENSG00000143384
Protein: Bcl-2-related protein A1
Description: Bcl-2-related protein A1
Organism : Homo sapiens
Q16548 ENSG00000140379
Protein: Apoptosis regulator Bcl-W
Description: Bcl-2-like protein 2
Organism : Homo sapiens
Q92843 ENSG00000129473
Protein: Bcl-2-like protein 10
Description: Bcl-2-like protein 10
Organism : Homo sapiens
Q9HD36 ENSG00000137875

Cross References

Resources Reference
ChEMBL CHEMBL2107358
FDA SRS 39200FJ43J
SureChEMBL SCHEMBL681265
CONTENTS