Structure

InChI Key KDGFLJKFZUIJMX-UHFFFAOYSA-N
Smile CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChI
InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34N4O2
Molecular Weight 482.63
AlogP 4.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 72.36
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Glioma 1 D005910 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 90936
ChEMBL CHEMBL1738797
DrugBank DB11363
DrugCentral 4937
EPA CompTox DTXSID50154840
FDA SRS LIJ4CT1Z3Y
Guide to Pharmacology 7739
PDB EMH
PharmGKB PA166160050
SureChEMBL SCHEMBL896753
ZINC ZINC000066166864