Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 41XGO0VS1U

Structure

InChI Key MLDQJTXFUGDVEO-FIBGUPNXSA-N
Smile [2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16ClF3N4O3
Molecular Weight 467.85
AlogP 5.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.35
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thyroid Neoplasms 3 D013964 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Nasopharyngeal Neoplasms 1 D009303 ClinicalTrials
Esophageal Neoplasms 1 D004938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297490
DrugBank DB15414
EPA CompTox DTXSID90648995
FDA SRS 41XGO0VS1U
SureChEMBL SCHEMBL14480690