Structure

InChI Key QZHBYNSSDLTCRG-UHFFFAOYSA-N
Smile Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16BrN5O6
Molecular Weight 442.23
AlogP 1.76
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 62.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha-2 agonist PubMed PubMed PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma 4 D005901 ClinicalTrials
Erythema 4 D004890 ClinicalTrials
Hyperemia 3 D006940 ClinicalTrials
Corneal Edema 3 D015715 ClinicalTrials
Dry Eye Syndromes 3 D015352 ClinicalTrials
Hand-Foot Syndrome 2 D060831 ClinicalTrials
Conjunctivitis, Allergic 2 D003233 ClinicalTrials
Flushing 0 D005483 ClinicalTrials
Alcohol-Related Disorders 0 D019973 ClinicalTrials

Related Entries

Parent
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
21.98
Eye disorders
18.39
General disorders and administration site conditions
17.23
Nervous system disorders
10.14
Injury, poisoning and procedural complications
6.79
Vascular disorders
5.76
Immune system disorders
3.3
Psychiatric disorders
2.67
Respiratory, thoracic and mediastinal disorders
2.51
Investigations
2.41
Cardiac disorders
2.11

Cross References

Resources Reference
ChEBI 3175
ChEMBL CHEMBL2062257
FDA SRS 4S9CL2DY2H
Guide to Pharmacology 520
KEGG C07886
PubChem 54405
SureChEMBL SCHEMBL34649
ZINC ZINC21303210