INDOXIMOD

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TX5CYN1KMZ

Structure
InChI Key ZADWXFSZEAPBJS-SNVBAGLBSA-N
Smile Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21
InChI
InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N2O2
Molecular Weight 218.26
AlogP 1.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 68.25
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR mTORC1 activator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
110000 148900-262750 - 19000-37000 30.5
Enzyme Transferase
- - - - 7.024-21.3
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.07--0.97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 2 D008545 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Ependymoma 1 D004806 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Paraganglioma 1 D010235 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Medulloblastoma 1 D008527 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 110117-83-4
ChEMBL CHEMBL571209
DrugBank DB12827
FDA SRS TX5CYN1KMZ
Guide to Pharmacology 8226
PubChem 405012
SureChEMBL SCHEMBL934800
ZINC ZINC000000039102
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