dapiprazole   Click here for help

GtoPdb Ligand ID: 7155

Synonyms: AF-2139 | Rev-Eyes®
Approved drug
dapiprazole is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: Marketed formulations may contain apiprazole hydrochloride (PubChem CID 6917787).
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 4
Topological polar surface area 37.19
Molecular weight 325.23
XLogP 4.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2
Isomeric SMILES Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2
InChI InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
InChI Key RFWZESUMWJKKRN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine
International Nonproprietary Names Click here for help
INN number INN
4983 dapiprazole
Synonyms Click here for help
AF-2139 | Rev-Eyes®
Database Links Click here for help
CAS Registry No. 72822-12-9
ChEMBL Ligand CHEMBL1201216
DrugBank Ligand DB00298
DrugCentral Ligand 781
GtoPdb PubChem SID 178103730
PubChem CID 3033538
Search Google for chemical match using the InChIKey RFWZESUMWJKKRN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RFWZESUMWJKKRN
Search PubMed clinical trials dapiprazole
Search PubMed titles dapiprazole
Search PubMed titles/abstracts dapiprazole
Search UniChem for chemical match using the InChIKey RFWZESUMWJKKRN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RFWZESUMWJKKRN
Wikipedia Dapiprazole