Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7G0Y719Q80

Structure

InChI Key KRHZRBUSQSYTTP-PTXGIJCNSA-N
Smile CCc1c2c(nc3ccc(OC(=O)CCC(=O)Oc4c(C)c(C)c5c(c4C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O5)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChI
InChI=1S/C55H72N2O9/c1-11-39-41-28-38(21-22-45(41)56-49-42(39)30-57-46(49)29-44-43(52(57)60)31-63-53(61)55(44,62)12-2)64-47(58)23-24-48(59)65-50-35(7)36(8)51-40(37(50)9)25-27-54(10,66-51)26-15-20-34(6)19-14-18-33(5)17-13-16-32(3)4/h21-22,28-29,32-34,62H,11-20,23-27,30-31H2,1-10H3/t33-,34-,54-,55+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C55H72N2O9
Molecular Weight 905.19
AlogP 11.38
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 19.0
Polar Surface Area 143.25
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 66.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105666
FDA SRS 7G0Y719Q80
PubChem 11251571
SureChEMBL SCHEMBL15341184