Details of the Drug

General Information of Drug (ID: DMZ46GI)

Drug Name

AM-2S

Synonyms

AM-2S; CHEMBL470194; SCHEMBL13208678; BDBM50278743

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H17NO3S
IUPAC Name: 3-hydroxy-6-methyl-N-[(4-phenylphenyl)methyl]-4-sulfanylidenepyran-2-carboxamide
Canonical SMILES: CC1=CC(=S)C(=C(O1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C20H17NO3S/c1-13-11-17(25)18(22)19(24-13)20(23)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H,21,23)
InChIKey: ZOMMNLRHGAAUNM-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of hydroxypyrone- and hydroxythiopyrone-based matrix metalloproteinase inhibitors: developing a structure-activity relationship. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1970-6.