PATUPILONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UEC0H0URSE

Structure
InChI Key QXRSDHAAWVKZLJ-PVYNADRNSA-N
Smile C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChI
InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H41NO6S
Molecular Weight 507.69
AlogP 4.48
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 109.25
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Tubulin stabiliser PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Structural protein
- 4 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
12600-31600 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peritoneal Neoplasms 3 D010534 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Carcinoid Tumor 2 D002276 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 152044-54-7
ChEBI 31550
ChEMBL CHEMBL94657
DrugBank DB03010
EPA CompTox DTXSID4046862
FDA SRS UEC0H0URSE
KEGG C12154
PDB EPB
PubChem 448013
SureChEMBL SCHEMBL3808
ZINC ZINC000003951737
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