Synonyms
Status
Molecule Category Free-form
UNII 3L5TQ84570
EPA CompTox DTXSID0023242

Structure

InChI Key OCJYIGYOJCODJL-UHFFFAOYSA-N
Smiles Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChI
InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27ClN2
Molecular Weight 390.96
AlogP 5.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 6.48
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 16.4

Related Entries

Cross References

Resources Reference
ChEBI 6709
ChEMBL CHEMBL1623
DrugBank DB00737
DrugCentral 1649
FDA SRS 3L5TQ84570
Human Metabolome Database HMDB0014875
Guide to Pharmacology 2757
KEGG C07116
PharmGKB PA450338
PubChem 4034
SureChEMBL SCHEMBL4649