LB-100

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0C1JUU9S0L

Structure
InChI Key JUQMLSGOTNKJKI-IZUQBHJASA-N
Smile CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1
InChI
InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O4
Molecular Weight 268.31
AlogP -0.36
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 70.08
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase Protein Phosphatase Serine/threonine protein phosphatase
- 21080-22110 - - -
Enzyme Transferase
- - - - 7.88
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -18.08-4.8

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Oligodendroglioma 2 D009837 ClinicalTrials
Paraganglioma 2 D010235 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Adenocarcinoma, Clear Cell 1 D018262 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1632032-53-1
ChEMBL CHEMBL4297300
DrugBank DB15412
FDA SRS 0C1JUU9S0L
Guide to Pharmacology 11105
PubChem 45101433
SureChEMBL SCHEMBL9880148
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