Synonyms
Status
Molecule Category Free-form
UNII M371870BYL

Structure

InChI Key OCKGFTQIICXDQW-ZEQRLZLVSA-N
Smiles Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O
InChI
InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30N2O6
Molecular Weight 466.53
AlogP 2.03
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 99.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6-120 - - -

Cross References

Resources Reference
CAS NUMBER 1255204-84-2
ChEMBL CHEMBL3696475
DrugBank DB11968
FDA SRS M371870BYL
Guide to Pharmacology 10382
PubChem 59568713
SureChEMBL SCHEMBL2894681