Structure

InChI Key JALHGCPDPSNJNY-UHFFFAOYSA-N
Smile CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl
InChI
InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21ClFNO3S
Molecular Weight 409.91
AlogP 3.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 46.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Purinergic receptor P2Y12 antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Side Effects from Label

Side effects Relative Frequency (%) Labels
Investigations Haemoglobin 14.1
Vascular disorders Haemorrhage 14.1
Investigations Haemoglobin 11.3
Vascular disorders Haemorrhage 11.3
Vascular disorders Hypertension 7.5
Metabolism and nutrition disorders Hypercholesterolaemia 7.4
Metabolism and nutrition disorders Hyperlipidaemia 7.4
Vascular disorders Hypertension 7.1
Metabolism and nutrition disorders Hypercholesterolaemia 7.0
Metabolism and nutrition disorders Hyperlipidaemia 7.0
Nervous system disorders Headache 5.5
Nervous system disorders Headache 5.3
Musculoskeletal and connective tissue disorders Back pain 5.0
Cardiac disorders Dyspnoea 4.9
General disorders and administration site conditions Asthenia 4.8
General disorders and administration site conditions Fatigue 4.8
Cardiac disorders Dizziness 4.6
Gastrointestinal disorders Nausea 4.6
Musculoskeletal and connective tissue disorders Back pain 4.5
Cardiac disorders Dyspnoea 4.5
Investigations Haemoglobin 4.5
Vascular disorders Haemorrhage 4.5
Gastrointestinal disorders Nausea 4.3
Respiratory, thoracic and mediastinal disorders Cough 4.1
Cardiac disorders Dizziness 4.1
Respiratory, thoracic and mediastinal disorders Cough 3.9
Vascular disorders Hypotension 3.9
Vascular disorders Hypotension 3.8
General disorders and administration site conditions Asthenia 3.7
General disorders and administration site conditions Fatigue 3.7
Investigations Haemoglobin 3.6
Vascular disorders Haemorrhage 3.6
Blood and lymphatic system disorders Leukopenia 3.5
General disorders and administration site conditions Non-cardiac chest pain 3.5
Investigations Haemoglobin 3.4
Vascular disorders Haemorrhage 3.4
Cardiac disorders Atrial fibrillation 3.1
General disorders and administration site conditions Non-cardiac chest pain 3.1
Cardiac disorders Oedema peripheral 3.0
Cardiac disorders Atrial fibrillation 2.9
Cardiac disorders Bradycardia 2.9
Skin and subcutaneous tissue disorders Dermatitis 2.8
Investigations Haemoglobin 2.8
Vascular disorders Haemorrhage 2.8
Blood and lymphatic system disorders Leukopenia 2.8
Skin and subcutaneous tissue disorders Rash 2.8
Investigations Body temperature increased 2.7
Investigations Haemoglobin 2.7
Vascular disorders Haemorrhage 2.7
Cardiac disorders Oedema peripheral 2.7
Gastrointestinal disorders Diarrhoea 2.6
Investigations Haemoglobin 2.6
Vascular disorders Haemorrhage 2.6
Musculoskeletal and connective tissue disorders Pain in extremity 2.6
Cardiac disorders Bradycardia 2.4
Skin and subcutaneous tissue disorders Dermatitis 2.4
Investigations Haemoglobin 2.4
Vascular disorders Haemorrhage 2.4
Skin and subcutaneous tissue disorders Rash 2.4
Gastrointestinal disorders Diarrhoea 2.3
Investigations Haemoglobin 2.3
Vascular disorders Haemorrhage 2.3
Investigations Body temperature increased 2.2
Investigations Haemoglobin 2.2
Vascular disorders Haemorrhage 2.2
Investigations Haemoglobin 2.0
Vascular disorders Haemorrhage 2.0
Investigations Haemoglobin 1.9
Vascular disorders Haemorrhage 1.9
Investigations Haemoglobin 1.7
Vascular disorders Haemorrhage 1.7
Investigations Haemoglobin 1.6
Vascular disorders Haemorrhage 1.6
Investigations Haemoglobin 1.3
Vascular disorders Haemorrhage 1.3
Investigations Haemoglobin 0.9
Vascular disorders Haemorrhage 0.9
Investigations Haemoglobin 0.6
Vascular disorders Haemorrhage 0.6
Investigations Haemoglobin 0.5
Vascular disorders Haemorrhage 0.5
Surgical and medical procedures Surgery 0.4
Immune system disorders Hypersensitivity 0.36
Nervous system disorders Haemorrhage intracranial 0.3
Surgical and medical procedures Surgery 0.3
Surgical and medical procedures Surgery 0.2
Surgical and medical procedures Surgery 0.1
Nervous system disorders Cerebrovascular accident 0.054
Nervous system disorders Cerebrovascular accident 0.005

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
22.39
Cardiac disorders
10.19
Nervous system disorders
9.32
Injury, poisoning and procedural complications
8.87
General disorders and administration site conditions
8.3
Gastrointestinal disorders
6.86
Respiratory, thoracic and mediastinal disorders
5.74
Skin and subcutaneous tissue disorders
4.45
Musculoskeletal and connective tissue disorders
3.88
Investigations
3.35
Psychiatric disorders
2.33
Renal and urinary disorders
2.03
Infections and infestations
2.01

Cross References

Resources Reference
ChEMBL CHEMBL1201773
EPA CompTox DTXSID1049067
FDA SRS G89JQ59I13
PubChem 10158453
SureChEMBL SCHEMBL246128