Structure

InChI Key ZUXNZUWOTSUBMN-UHFFFAOYSA-N
Smile Cl.NNc1nncc2ccccc12
InChI
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9ClN4
Molecular Weight 196.64
AlogP 0.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.83
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 12.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
15.76
Vascular disorders
13.71
Renal and urinary disorders
9.94
Respiratory, thoracic and mediastinal disorders
7.39
General disorders and administration site conditions
5.96
Skin and subcutaneous tissue disorders
5.85
Cardiac disorders
5.49
Injury, poisoning and procedural complications
4.94
Pregnancy, puerperium and perinatal conditions
4.1
Investigations
3.94
Musculoskeletal and connective tissue disorders
3.87
Gastrointestinal disorders
3.66
Nervous system disorders
3.66
Hepatobiliary disorders
2.41
Blood and lymphatic system disorders
2.02

Cross References

Resources Reference
ChEBI 31672
ChEMBL CHEMBL542541
EPA CompTox DTXSID1044645
FDA SRS FD171B778Y
PubChem 9351
SureChEMBL SCHEMBL36271