ELSAMITRUCIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZTV0FOB6NU

Structure
InChI Key MGQRRMONVLMKJL-KWJIQSIXSA-N
Smile CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)[C@@H]1N
InChI
InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H35NO13
Molecular Weight 653.64
AlogP 1.73
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 213.51
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 47.0

Indications

Mesh Heading Maximum Phase Reference
Leukemia, Lymphocytic, Chronic, B-Cell; Lymphoma; Lymphoma, Mantle-Cell; Lymphoma, Non-Hodgkin Phase 2 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 97068-30-9
ChEMBL CHEMBL2106409
DrugBank DB05129
FDA SRS ZTV0FOB6NU
PubChem 5362259
SureChEMBL SCHEMBL3988
ZINC ZINC000004215770
CONTENTS