Structure

InChI Key CUXQPMGPJPHNFO-UHFFFAOYSA-N
Smile Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C22H26F3N3OS.ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;/h1-2,4-7,16,29H,3,8-15H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28Cl2F3N3OS
Molecular Weight 510.45
AlogP 4.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist PubMed PubMed PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.5
Gastrointestinal disorders
11.26
Metabolism and nutrition disorders
8.59
General disorders and administration site conditions
8.09
Psychiatric disorders
7.94
Respiratory, thoracic and mediastinal disorders
6.14
Endocrine disorders
6.08
Vascular disorders
4.47
Injury, poisoning and procedural complications
4.09
Cardiac disorders
3.97
Eye disorders
3.88
Investigations
2.85
Musculoskeletal and connective tissue disorders
2.6
Renal and urinary disorders
2.11

Cross References

Resources Reference
ChEBI 5126
ChEMBL CHEMBL1448187
EPA CompTox DTXSID00892922
FDA SRS ZOU145W1XL
Guide to Pharmacology 204
KEGG C07010
PubChem 67356
SureChEMBL SCHEMBL41634
ZINC ZINC19203912