MINNELIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Unknown
Molecule Category: UNKNOWN
UNII: 1CIV2UMO40

Structure
InChI Key ZHBJMVNZRZUQEP-KIKMAQITSA-L
Smile CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OCOP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25Na2O10P
Molecular Weight 514.38
AlogP 1.19
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 139.88
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3740500
FDA SRS 1CIV2UMO40
PubChem 46203139
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