Details of the Drug

General Information of Drug (ID: DM5Z0O6)

Drug Name

3-Amino-4-Oxybenzyl-2-Butanone

Synonyms

3-AMINO-4-OXYBENZYL-2-BUTANONE; AC1NRD4M; SCHEMBL15172323; CHEMBL1235900; DB02148

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)

193.24

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H15NO2
IUPAC Name: (3S)-3-amino-4-phenylmethoxybutan-2-one
Canonical SMILES: CC(=O)[C@H](COCC1=CC=CC=C1)N
InChI: InChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1
InChIKey: ISLRAQPEXPIKDJ-NSHDSACASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.