SAGOPILONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KY72JU32FO

Structure
InChI Key BFZKMNSQCNVFGM-UCEYFQQTSA-N
Smile C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O
InChI
InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H41NO6S
Molecular Weight 543.73
AlogP 5.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 109.25
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Tubulin stabiliser PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 305841-29-6
ChEMBL CHEMBL2304041
DrugBank DB12391
FDA SRS KY72JU32FO
PubChem 11284169
SureChEMBL SCHEMBL423579
ZINC ZINC000003964449
CONTENTS