Details of the Drug

General Information of Drug (ID: DMNRMKA)

Drug Name

MB-3

Synonyms

alpha-methylene-gamma-butyrolactone 3

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)

186.16

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H10O5
IUPAC Name: (2S,3S)-4,5-dioxo-2-propyloxolane-3-carboxylic acid
Canonical SMILES: CCC[C@H]1[C@@H](C(=O)C(=O)O1)C(=O)O
InChI: InChI=1S/C8H10O5/c1-2-3-4-5(7(10)11)6(9)8(12)13-4/h4-5H,2-3H2,1H3,(H,10,11)/t4-,5-/m0/s1
InChIKey: AKWJFOMNTDKSRR-WHFBIAKZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone acetyltransferase KAT2B (KAT2B)	TTVK7SB	KAT2B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, and biological evaluation of a small-molecule inhibitor of the histone acetyltransferase Gcn5. Angew Chem Int Ed Engl. 2004 Jul 26;43(30):3974-6.