Structure

InChI Key OQGRFQCUGLKSAV-JTQLQIEISA-N
Smile O=C1CC[C@H](NC(=O)Cc2ccccc2)C(=O)N1
InChI
InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14N2O3
Molecular Weight 246.27
AlogP 0.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioma 2 D005910 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Carcinoma 2 D002277 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neuroblastoma 2 D009447 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Neuroectodermal Tumors, Primitive 2 D018242 ClinicalTrials
Rhabdoid Tumor 2 D018335 ClinicalTrials
Lymphoma, Non-Hodgkin 2 D008228 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Waldenstrom Macroglobulinemia 2 D008258 ClinicalTrials
Ependymoma 2 D004806 ClinicalTrials
Adrenal Cortex Neoplasms 2 D000306 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Meningioma 2 D008579 ClinicalTrials
Glioma 2 D005910 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1980825
DrugBank DB11702
FDA SRS 16VY3TM7ZO
SureChEMBL SCHEMBL20772654
ZINC ZINC000001590366