Details of the Drug

General Information of Drug (ID: DMDM9UV)

• Drug Name: 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide
• Synonyms: CHEMBL356164; 34649-20-2; 4,5-dibromopyrrole-2-carboxamide; 4,5-dibromo-1h-pyrrole-2-carboxamide; 4,5-dibromopyrrole-2-carbonamide; 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide; MLS001250248; 4,5-dibromopyrrole-2-carbamide; CTK1B1045; DTXSID30555154; BDBM50108773; SMR001216076; 1H-Pyrrole-2-carboxamide, 4,5-dibromo-; 4,5-Dibromo-1H-pyrrole-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 267.91
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C5H4Br2N2O
  IUPAC Name: 4,5-dibromo-1H-pyrrole-2-carboxamide
  Canonical SMILES: C1=C(NC(=C1Br)Br)C(=O)N
  InChI: InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
  InChIKey: VTWHNVAKXBNGFV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14056555
  ChEBI ID: CHEMBL356164
  CAS Number: 34649-20-2
  TTD ID: D0I4NN
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ERK activator kinase 1 (MEK1)	TTIDAPM	MP2K1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
ERK activator kinase 1 (MEK1)	DTT	MAP2K1	6.84E-01	0.03	0.2

References

• [1] Aldisine alkaloids from the Philippine sponge Stylissa massa are potent inhibitors of mitogen-activated protein kinase kinase-1 (MEK-1). J Med Chem. 2002 Jan 17;45(2):529-32.