Details of the Drug

General Information of Drug (ID: DM8NWFD)

• Drug Name: Hypericum
• Synonyms: 6-formamidopenicillanic acid; UNII-2TC14ZH3A5; CHEBI:59004; CTK2F8101; 6-formamido-2,2-dimethylpenam-3alpha-carboxylic acid; 2TC14ZH3A5; 64527-04-4; (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-Formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; PAB 141; 141a/2A; HIS-1201; Epitope ID:119700; SCHEMBL11176911; DTXSID90429524; 6beta-formylaminopenicillanic acid; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(formylamino)-3,3-d
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 244.27
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C9H12N2O4S
  IUPAC Name: (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  Canonical SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)O)C
  InChI: InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1
  InChIKey: MDQGTDMBVJCTBN-JCGDXUMPSA-N
• Cross-matching ID:
  PubChem CID: 9548591
  ChEBI ID: CHEBI:59004
  CAS Number: 64527-04-4
  TTD ID: D08BYK
  VARIDT ID: DR01095

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Norepinephrine transporter (NET)	DTT	SLC6A2	7.05E-01	7.02E-03	0.07

References

• [1] The experimental and clinical pharmacology of St John's Wort (Hypericum perforatum L.). Mol Psychiatry. 1999 Jul;4(4):333-8.