OBATOCLAX MESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: 39200FJ43J
Parent Compound: OBATOCLAX

Structure
InChI Key ZFKXDVMHNXPEIY-PEZBNFGJSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Apoptosis regulator Bcl-2 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- 4690 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Primary Myelofibrosis 2 D055728 ClinicalTrials
Lymphoma, Mantle-Cell 1 D020522 ClinicalTrials
Leukemia, Prolymphocytic 1 D015463 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2107358
FDA SRS 39200FJ43J
SureChEMBL SCHEMBL681265
CONTENTS