Structure

InChI Key VVHQVXXPZDALDV-BOXHHOBZSA-N
Smile Cl.O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
InChI
InChI=1S/C25H27N3O5.ClH/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27;/h1-7,21H,8-16H2,(H,26,29,30);1H/t21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28ClN3O5
Molecular Weight 485.97
AlogP 1.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 88.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 3 D009101 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Smoldering Multiple Myeloma 2 D000075122 ClinicalTrials
Sarcoidosis 2 D012507 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989912
FDA SRS 79L3645KFI
PubChem 72793904
SureChEMBL SCHEMBL15465936