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: CHEBI:29919
  CAS Number: 15035-72-0
  TTD ID: D0T6ZX

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.