VALEMETOSTAT TOSYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6N79I7X5II

Structure
InChI Key JSBKGJUYSLVFPF-WJQUPPJOSA-N
Smile Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1.Cc1ccc(S(=O)(=O)O)cc1
InChI
InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17-,18-,26-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H42ClN3O7S
Molecular Weight 660.23
AlogP 4.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 83.66
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia-Lymphoma, Adult T-Cell 2 D015459 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594405
FDA SRS 6N79I7X5II
SureChEMBL SCHEMBL18393873
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