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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279229
CHEMBL279229
Compound Name URAPIDIL
ChEMBL Synonyms Urapidil Hydrochloride | URAPIDIL
Max Phase 3
Trade Names
Molecular Formula C20H29N5O3

Additional synonyms for CHEMBL279229 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2
Standard InChI InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-1 ...
Download InChI
Standard InChI Key ICMGLRUYEQNHPF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL279229

Molecule Features

CHEMBL279229 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Pre-EclampsiaD011225EFO:0000668preeclampsia3ClinicalTrials
HypertensionD006973EFO:0000537hypertension3ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov URAPIDIL
The Cochrane Collaboration URAPIDIL

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 CHEMBL279229. 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
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 1.000
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL5067 Dopamine D1 receptor Sus scrofa 1.000
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL2490 Serotonin 2a (5-HT2a) receptor Sus scrofa 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL5067 Dopamine D1 receptor Sus scrofa 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL2490 Serotonin 2a (5-HT2a) receptor Sus scrofa 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
387.5 387.227 0.72 7 71.74 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.79 1.64 1.23 2 28 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL279229. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02C - ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
C02CA - Alpha-adrenoreceptor antagonists
C02CA06 - urapidil

ChemSpider ChemSpider:ICMGLRUYEQNHPF-UHFFFAOYSA-N
PubChem SID: 104171260 SID: 11111935 SID: 11111936 SID: 11114211 SID: 144203849 SID: 26752246 SID: 90341686 SID: 99361071
Wikipedia Urapidil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279229



ACToR 34661-75-1
ChEBI 32278
DrugBank DB12661
DrugCentral 2796
eMolecules 1933598
EPA CompTox Dashboard DTXSID9021425
FDA SRS A78GF17HJS
IBM Patent System 2D231FE55BD65DF43C5ECE70FAFBA866
LINCS LSM-5807
MolPort MolPort-004-964-587
Nikkaji J19.690H
PubChem 5639
PubChem: Drugs of the Future 12014605
PubChem: Thomson Pharma 14902854
SureChEMBL SCHEMBL48992
ZINC ZINC000001544805

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