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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 95600 - - 31

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 2 D011471 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Medulloblastoma 1 D008527 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Ependymoma 1 D004806 ClinicalTrials
Gliosarcoma 1 D018316 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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