Details of the Drug

General Information of Drug (ID: DMO32HN)

• Drug Name: HYDROSULFIDE
• Synonyms: hydrosulfide; sulfanide; HS anion; CHEMBL38703; CHEBI:29919; 15035-72-0; hydrosulphide; bisulfide; thiolate; Hydridesulfuranion; Hydrosulfide Anion; Hydrogensulfide Ion; hydrogen sulfide ion; sulfur(1-); Sulfide (HS1-); hydrogen(sulfide)(-1); hydrogen(sulfide)(1-); AC1NUTG4; AC1NNM8X; BDBM26990; RWSOTUBLDIXVET-UHFFFAOYSA-M; HS(-); HS(-1)

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); 33.08
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: HS-
  IUPAC Name: sulfanide
  Canonical SMILES: [SH-]
  InChI: InChI=1S/H2S/h1H2/p-1
  InChIKey: RWSOTUBLDIXVET-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 5047209
  ChEBI ID: CHEMBL29919
  CAS Number: 15035-72-0
  TTD ID: D0T6ZX
• 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
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[2]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_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
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33
Carbonic anhydrase IX (CA-IX)	DTT	CA9	1.12E-10	-0.03	-0.09

References

• [1] Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5769-73.
• [2] Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.