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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110985
CHEMBL2110985
Compound Name PROPIRAM
ChEMBL Synonyms BAY 4503 | PROPIRAM FUMARATE | DIRAME
Max Phase 0
Trade Names
Molecular Formula C16H25N3O

Additional synonyms for CHEMBL2110985 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2
Standard InChI InChI=1S/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-1 ...
Download InChI
Standard InChI Key ZBAFFZBKCMWUHM-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110985

Molecule Features

CHEMBL2110985 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PROPIRAM
The Cochrane Collaboration PROPIRAM

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
275.4 275.1998 2.7 5 36.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.63 3.01 1.78 1 20 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL2110985. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZBAFFZBKCMWUHM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110985



ACToR 15686-91-6 52373-67-8
ChEBI 135140
DrugCentral 2299
EPA CompTox Dashboard DTXSID1023522
IBM Patent System B86138F238BEED3A6B19FBB27FED2B96
Nikkaji J8.999K
PubChem 26216
PubChem: Thomson Pharma 14799462
SureChEMBL SCHEMBL26193

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