Details of the Drug

General Information of Drug (ID: DM5HMTB)

• Drug Name: Porphobilinogen
• Synonyms: porphobilinogen; 487-90-1; 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID; UNII-74KHC72QXK; 1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-; 2-aminomethylpyrrol-3-acetic acid 4-propionic acid; 74KHC72QXK; PBG; CHEBI:17381; 5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic acid; 5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid; 3-(5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid; 5-(aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 226.23
  Logarithm of the Partition Coefficient (xlogp); -3.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C10H14N2O4
  IUPAC Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
  Canonical SMILES: C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
  InChI: InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
  InChIKey: QSHWIQZFGQKFMA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1021
  ChEBI ID: CHEBI:17381
  CAS Number: 487-90-1
  DrugBank ID: DB02272
  TTD ID: D0U6QC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Delta-aminolevulinic acid dehydratase (ALAD)	TTJHKYD	HEM2_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.