Details of the Drug | DrugMAP

General Information of Drug (ID: DMX9LGW)

Drug Name	PMID30074415-Compound-20
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			162.21
	Logarithm of the Partition Coefficient (xlogp)			2
	Rotatable Bond Count (rotbonds)			0
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			2
Chemical Identifiers	Formula C9H6OS IUPAC Name chromene-2-thione Canonical SMILES C1=CC=C2C(=C1)C=CC(=S)O2 InChI InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H InChIKey FRZDLTCXOSFHJC-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 19890 CAS Number 3986-98-9 TTD ID D0F8XZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.