MIPSAGARGIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q032I35QMX

Structure
InChI Key UPYNTAIBQVNPIH-ODMLWHIESA-N
Smile C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC
InChI
InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H100N6O27
Molecular Weight 1409.54
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 2 D011471 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989865
DrugBank DB11813
FDA SRS Q032I35QMX
PubChem 24772106
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