Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 87TZD0JEBS

Structure

InChI Key VZSAMEOETVNDQH-UHFFFAOYSA-N
Smile CN1C(=O)C(C)(C)Oc2c(-c3cn(C)c(=O)c4[nH]ccc34)cc(S(C)(=O)=O)cc21
InChI
InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21N3O5S
Molecular Weight 415.47
AlogP 2.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 101.47
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594412
FDA SRS 87TZD0JEBS
PubChem 118467751
SureChEMBL SCHEMBL17200525