Structure

InChI Key FASDKYOPVNHBLU-ZETCQYMHSA-N
Smile CCCN[C@H]1CCc2nc(N)sc2C1
InChI
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N3S
Molecular Weight 211.33
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 50.94
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Primary Target
D2 receptor
D3 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 4 D010300 ClinicalTrials
Tourette Syndrome 3 D005879 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Feeding and Eating Disorders 3 D001068 ClinicalTrials
Restless Legs Syndrome 3 D012148 ClinicalTrials
Essential Tremor 3 D020329 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Obsessive-Compulsive Disorder 1 D009771 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials
Renal Colic 1 D056844 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials
Chronic Pain 0 D059350 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 104632-26-0
ChEBI 8356
ChEMBL CHEMBL301265
DrugBank DB00413
DrugCentral 2233
EPA CompTox DTXSID6023496
FDA SRS 83619PEU5T
Human Metabolome Database HMDB0014557
Guide to Pharmacology 953
PDB G6L
PubChem 119570
SureChEMBL SCHEMBL35376
ZINC ZINC000003781664