lumateperone   Click here for help

GtoPdb Ligand ID: 9099

Synonyms: Caplyta® | ITI-007
Approved drug
lumateperone is an approved drug (FDA (2019))
Compound class: Synthetic organic
Comment: Lumateperone (ITI-007) is an antipsychotic, with a novel mechanism of action, making it the first-in class agent of its type [2,5]. Note that the approved drug contains lumateperone tosylate (PubChem CID 44241743).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 26.79
Molecular weight 393.22
XLogP 4.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C
Isomeric SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C
InChI InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3
InChI Key HOIIHACBCFLJET-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019))
International Nonproprietary Names Click here for help
INN number INN
10156 lumateperone
Synonyms Click here for help
Caplyta® | ITI-007
Database Links Click here for help
CAS Registry No. 313368-91-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545045
DrugBank Ligand DB06077
GtoPdb PubChem SID 315661184
PubChem CID 9821941
Search Google for chemical match using the InChIKey HOIIHACBCFLJET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HOIIHACBCFLJET
Search PubMed clinical trials lumateperone
Search PubMed titles lumateperone
Search PubMed titles/abstracts lumateperone
Search UniChem for chemical match using the InChIKey HOIIHACBCFLJET-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HOIIHACBCFLJET
Wikipedia ITI-007