Details of the Drug

General Information of Drug (ID: DMD25HJ)

Drug Name

O-Benzylsulfonyl-Serine

Synonyms

AC1MNK8J; SCHEMBL4313869; 2-amino-3-benzylsulfonyloxypropanoic acid

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): 1

Molecular Weight (mw)

259.279

Logarithm of the Partition Coefficient (xlogp)

-2.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C10H13NO5S
IUPAC Name: (2S)-2-amino-3-benzylsulfonyloxypropanoic acid
Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)OC[C@@H](C(=O)O)N
InChI: InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey: GCZVEKLTOLTWLM-VIFPVBQESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytomegalovirus Protease (CMV UL80)	TT5DOVB	SCAF_HCMVA	Inhibitor	[1]

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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.