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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30044
CHEMBL30044
Compound Name DIBROMPROPAMIDINE
ChEMBL Synonyms Dibrompropamidine | SID144207153 | SID124899409
Max Phase 0
Trade Names
Molecular Formula C17H18Br2N4O2

Additional synonyms for CHEMBL30044 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(=N)N)c(Br)c1
Standard InChI InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1 ...
Download InChI
Standard InChI Key GMJFVGRUYJHMCO-UHFFFAOYSA-N

Molecule Features

CHEMBL30044 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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL30044

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 CHEMBL30044. 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
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL3991 Coagulation factor VII Homo sapiens 0.999
CHEMBL244 Coagulation factor X Homo sapiens 0.999
CHEMBL204 Thrombin Homo sapiens 0.998
CHEMBL209 Trypsin I Homo sapiens 0.996
CHEMBL286 Renin Homo sapiens 0.994
CHEMBL2319 Kallikrein 1 Homo sapiens 0.987
CHEMBL3018 Matriptase Homo sapiens 0.964
CHEMBL1801 Plasminogen Homo sapiens 0.924
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 0.316
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.265



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL244 Coagulation factor X Homo sapiens 1.000
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL1801 Plasminogen Homo sapiens 1.000
CHEMBL3991 Coagulation factor VII Homo sapiens 1.000
CHEMBL2319 Kallikrein 1 Homo sapiens 0.999
CHEMBL286 Renin Homo sapiens 0.987
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.986
CHEMBL2366 Trypsin Sus scrofa 0.979
CHEMBL3018 Matriptase Homo sapiens 0.960
CHEMBL3769 Trypsin I Bos taurus 0.754
CHEMBL3764 Urotensin II receptor Homo sapiens 0.379

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
470.2 467.9797 3.12 0 8 No Yes BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 11.59 3.14 .14 2 25 3 0.27

Compound Cross References

ATC S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AX Other antiinfectives
S01AX14 dibrompropamidine

D DERMATOLOGICALS
D08 ANTISEPTICS AND DISINFECTANTS
D08A ANTISEPTICS AND DISINFECTANTS
D08AC Biguanides and amidines
D08AC01 dibrompropamidine

ChemSpider ChemSpider:GMJFVGRUYJHMCO-UHFFFAOYSA-N
PubChem SID: 124899409
Wikipedia Dibrompropamidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30044



eMolecules 31225590
IBM Patent System 814E9DBA0EF9B45E3A3BEEE5973A3053
FDA SRS 269M3QL74S
PubChem: Thomson Pharma 14960165
PubChem 11974

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