PM-00104

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C21EZR41AY

Structure
InChI Key VPAHZSUNBOYNQY-DLVGLDQCSA-N
Smile COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5
InChI
InChI=1S/C37H38F3N3O8/c1-17-11-21-13-25-36(47)43-24(30(42(25)4)28(21)31(46)32(17)48-5)14-23-29(35-34(49-16-50-35)18(2)33(23)51-19(3)44)26(43)15-41-27(45)10-9-20-7-6-8-22(12-20)37(38,39)40/h6-12,24-26,30,36,46-47H,13-16H2,1-5H3,(H,41,45)/b10-9+/t24-,25-,26-,30-,36-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H38F3N3O8
Molecular Weight 709.72
AlogP 4.72
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 130.03
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 51.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297453
DrugBank DB12454
EPA CompTox DTXSID0044026
FDA SRS C21EZR41AY
PubChem 16061448
SureChEMBL SCHEMBL7975282
CONTENTS