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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611
CHEMBL611
Compound Name TERAZOSIN
ChEMBL Synonyms ABBOTT-45975 | TERAZOSIN | HYTRIN | TERAZOSIN HYDROCHLORIDE | BENPH | Hytrin | HYTRIN BPH
Max Phase 4 (Approved)
Trade Names BENPH | TERAZOSIN HYDROCHLORIDE | HYTRIN BPH | HYTRIN
Molecular Formula C19H25N5O4

Additional synonyms for CHEMBL611 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4
Standard InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22 ...
Download InChI
Standard InChI Key VCKUSRYTPJJLNI-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL611

Molecule Features

CHEMBL611 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha-1 antagonist Adrenergic receptor alpha-1 DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carotid StenosisD016893EFO:0002615internal carotid artery stenosis2ClinicalTrials
Prostatic HyperplasiaD011470EFO:0000284benign prostatic hyperplasia4ATC

Clinical Data

ClinicalTrials.gov TERAZOSIN
The Cochrane Collaboration TERAZOSIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL611. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.987
CHEMBL6032 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens 0.971
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.831

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6032 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens 0.996
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.951
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.771
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.286

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
387.4 387.1907 1.06 4 103.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.52 .8 .74 2 28 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL611. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04C - DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
G04CA - Alpha-adrenoreceptor antagonists
G04CA03 - terazosin

ChemSpider ChemSpider:VCKUSRYTPJJLNI-UHFFFAOYSA-N
DailyMed terazosin hydrochloride
PubChem SID: 174007477 SID: 50085853 SID: 855611 SID: 90340975
Wikipedia Terazosin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611



ACToR 63590-64-7
BindingDB 50033111
ChEBI 9445
ChemicalBook CB9285510
DrugBank DB01162
DrugCentral 3584
eMolecules 902550
EPA CompTox Dashboard DTXSID3023639
Guide to Pharmacology 7302
Human Metabolome Database HMDB0015293
IBM Patent System 120AC06C0F20C424A9442AB56373D863
KEGG Ligand C07127
LINCS LSM-4997
Mcule MCULE-4030111564
MolPort MolPort-001-684-489
NIH Clinical Collection SAM002589982
Nikkaji J19.669J
PharmGKB PA451612
PubChem 5401
PubChem: Thomson Pharma 14805011
SureChEMBL SCHEMBL6528

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VCKUSRYTPJJLNI-UHFFFAOYSA-N spacer
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