Details of the Drug

General Information of Drug (ID: DM3VOPQ)

• Drug Name: SEBACIC ACID
• Synonyms: sebacic acid; DECANEDIOIC ACID; 111-20-6; 1,8-Octanedicarboxylic acid; 1,10-Decanedioic acid; Sebacic acids; Decanedicarboxylic acid; Sebacinsaure; n-Decanedioic acid; Acide sebacique; sebacate; Sebacinsaeure; USAF HC-1; Sebacinsaure [German]; Seracic acid; Acide sebacique [French]; UNII-97AN39ICTC; NSC 19492; Ipomic acid; CCRIS 2290; NSC19492; EINECS 203-845-5; BRN 1210591; 97AN39ICTC; AI3-09127; CHEBI:41865; CXMXRPHRNRROMY-UHFFFAOYSA-N; MFCD00004440; Sebacic acid, 98%; DSSTox_CID_6867; DSSTox_RID_78231; DSSTox_GSID_26867; Decanedioic ac

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); 202.25
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H18O4
  IUPAC Name: decanedioic acid
  Canonical SMILES: C(CCCCC(=O)O)CCCC(=O)O
  InChI: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
  InChIKey: CXMXRPHRNRROMY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5192
  ChEBI ID: CHEBI:41865
  CAS Number: 111-20-6
  DrugBank ID: DB07645
  TTD ID: D05QIT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hemoglobin (HB)	TTQO71U	HBA_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.