Structure

InChI Key XCPXNPBILMXKNX-UHFFFAOYSA-N
Smile COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O
InChI
InChI=1S/C24H26N2O4.H3O4P/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;1-5(2,3)4/h2-12,17,25-27H,13-16H2,1H3;(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N2O8P
Molecular Weight 504.48
AlogP 3.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 75.74
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-1 antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 4 D009203 ClinicalTrials
Heart Failure 1 D006333 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
13.94
Nervous system disorders
11.43
Cardiac disorders
8.86
Vascular disorders
8.55
Injury, poisoning and procedural complications
6.28
Surgical and medical procedures
6.19
Investigations
5.85
Gastrointestinal disorders
5.21
Respiratory, thoracic and mediastinal disorders
4.66
Musculoskeletal and connective tissue disorders
4.41
Psychiatric disorders
4.29
Skin and subcutaneous tissue disorders
3.71
Product issues
2.42
Infections and infestations
2.39
Eye disorders
2.21

Cross References

Resources Reference
ChEMBL CHEMBL1201167
FDA SRS 15DX7Y16JB
PubChem 11954344
SureChEMBL SCHEMBL194220