LY3154885   Click here for help

GtoPdb Ligand ID: 11938

Synonyms: compound 5 [PMID: 35175768] | LY-3154885
Compound class: Synthetic organic
Comment: LY3154885 is an orally delivered dopamine D1 receptor positive allosteric modulator (PAM) [1]. It was a clinical candidate for neurological disorders.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 58.36
Molecular weight 443.12
XLogP 4.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC[C@H]1Cc2c([C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)cccc2c1cnn(c1)C
Isomeric SMILES C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
InChI InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1
InChI Key MJDOWJUPBHLXIH-GOEBONIOSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 5 [PMID: 35175768] | LY-3154885
Database Links Click here for help
Specialist databases
GPCRdb Ligand LY3154885
Other databases
GtoPdb PubChem SID 461663493
Search Google for chemical match using the InChIKey MJDOWJUPBHLXIH-GOEBONIOSA-N
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UniChem Compound Search for chemical match using the InChIKey MJDOWJUPBHLXIH-GOEBONIOSA-N
UniChem Connectivity Search for chemical match using the InChIKey MJDOWJUPBHLXIH-GOEBONIOSA-N