TIMOLOL MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Parent
UNII: P8Y54F701R

Structure
InChI Key WLRMANUAADYWEA-NWASOUNVSA-N
Smile CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28N4O7S
Molecular Weight 432.5
AlogP 0.5
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 79.74
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Portal 3 D006975 ClinicalTrials
Corneal Edema 3 D015715 ClinicalTrials
Hemangioma 3 D006391 ClinicalTrials
Optic Neuropathy, Ischemic 1 D018917 ClinicalTrials

Related Entries

MCS

Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
21.76
Nervous system disorders
11.33
General disorders and administration site conditions
9.59
Injury, poisoning and procedural complications
7.62
Cardiac disorders
6.29
Skin and subcutaneous tissue disorders
6.17
Respiratory, thoracic and mediastinal disorders
4.82
Investigations
4.25
Vascular disorders
4.25
Psychiatric disorders
3.75
Immune system disorders
3.36
Gastrointestinal disorders
3.13
Product issues
3.01

Cross References

Resources Reference
ChEBI 9600
ChEMBL CHEMBL1200870
EPA CompTox DTXSID3047504
FDA SRS P8Y54F701R
PubChem 5281056
SureChEMBL SCHEMBL26233
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