BIMOSIAMOSE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 97B5KCW80W

Structure
InChI Key RYWCQJDEHXJHRI-XJMXIVSISA-N
Smile O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
InChI
InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H54O16
Molecular Weight 862.92
AlogP 1.98
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 19.0
Polar Surface Area 273.36
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 62.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Selectin inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- 70000-95000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 187269-40-5
ChEMBL CHEMBL1215923
DrugBank DB06197
EPA CompTox DTXSID8048783
FDA SRS 97B5KCW80W
Guide to Pharmacology 9049
PubChem 9811353
SureChEMBL SCHEMBL12182030
ZINC ZINC000150339083
CONTENTS