General Information of the Compound
Compound ID
CP0049270
Compound Name
2-phenylethylhydrazine
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Synonyms
1-Hydrazino-2-phenylethane
2-Phenethylhydrazine
2-Phenylethylhydrazine
Beta-Phenylethylhydrazine
Fenelzina
Fenelzina [INN-Spanish]
Fenelzyna
Fenelzyna [Polish]
Fenelzyne
Fenelzyne [Polish]
Nardelzine (TN)
Nardil (TN)
Phenelezine
Phenelzine
Phenelzine (BAN)
Phenelzine [INN:BAN]
Phenelzinum
Phenelzinum [INN-Latin]
Phenethylhydrazine
Phenylethyl hydrazine-HCl
Phenylethylhydrazine
W 1544-A
W1544
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Structure
Formula
C8H12N2
Molecular Weight
136.198
Canonical SMILES
NNCCc1ccccc1
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InChI
InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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InChIKey
RMUCZJUITONUFY-UHFFFAOYSA-N
CAS
51-71-8
Physicochemical Property
logP
0.6924
Rotatable Bonds
3
Heavy Atom Count
10
Polar Areas
38.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 3675
SID: 15297289
ChEMBL ID
CHEMBL1089
DrugBank ID
DB00780
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 146 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 238 nM
2 Ki = 163 nM
Protein ID: PT01049, Cytochrome P450 2C19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 800 nM
   TI
   LI
   LO
   TS
Protein ID: PT00905, Cytochrome P450 2C9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00986, Cytochrome P450 3A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phenelzine )
Drug Name Phenelzine
Company Parke Davis Div Warner Lambert Co
Indication
Depression
Approved
Skin imperfections
Patented
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor