Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4A3702A96F

Structure

InChI Key XHCSBQBBGNQINS-DOTOQJQBSA-N
Smile C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
InChI
InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29Cl2NO3
Molecular Weight 450.41
AlogP 4.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 60.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Dopamine D1 receptor positive allosteric modulator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lewy Body Disease 2 D020961 ClinicalTrials
Parkinson Disease 1 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3421729
FDA SRS 4A3702A96F
Guide to Pharmacology 10506
PDB G4C
PubChem 86290953
SureChEMBL SCHEMBL16267372
ZINC ZINC000220050656