General Information of the Compound
Compound ID
CP0368603
Compound Name
2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propionohydrazide;hydrochloride
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Synonyms
322-35-0
BRN 3984490
Benseraszide
Benserazida
Benserazida [INN-Spanish]
Benserazide
Benserazide [USAN:INN:BAN]
Benserazidum
Benserazidum [INN-Latin]
C10H15N3O5
CHEBI:64187
DL-Serine 2-((2,3,4-trihydroxyphenyl)methyl)hydrazide
DL-Serine 2-(2,3,4-trihydroxybenzyl)hydrazide
DL-Serine, 2-((2,3,4-trihydroxyphenyl)methyl)hydrazide
DL-Seryltrihydroxybenzylhydrazine
DL-serine 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide
Ro 4-4602
Ro 44602
Serazide
Serine, 2-(2,3,4-trihydroxybenzyl)hyrazide, DL-
benserazide
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Structure
Formula
C10H15N3O5
Molecular Weight
257.246
Canonical SMILES
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
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InChI
InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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InChIKey
BNQDCRGUHNALGH-UHFFFAOYSA-N
CAS
322-35-0
Physicochemical Property
logP
-1.7562
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
148.07
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
7
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2327
SID: 15094804
ChEMBL ID
CHEMBL1096979
DrugBank ID
DB12783
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Benserazide )
Drug Name Benserazide
Target(s)
Aromatic-L-amino-acid decarboxylase (DDC)
 Target Info 
Inhibitor