General Information of the Compound
Compound ID
CP0036918
Compound Name
(2S)-2-amino-3-phenylpropanoic acid
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Synonyms
(2S)-2-amino-3-phenylpropanoic acid
(L)-Phenylalanine
(S)-(-)-Phenylalanine
(S)-2-Amino-3-phenylpropanoic acid
(S)-2-Amino-3-phenylpropionic acid
(S)-Phenylalanine
(S)-alpha-Amino-benzenepropanoic acid
(S)-alpha-Amino-beta-phenylpropionic acid
(S)-alpha-Aminohydrocinnamic acid
1F9436B3-8B0D-4AC6-A004-4249B0BDA436
3-Phenyl-L-alanine
3-Phenylalanine
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid
Alpha-Aminohydrocinnamic acid
Antibiotic FN 1636
Beta-Phenyl-L-alanine
Beta-Phenylalanine
CB 3208
Endophenyl
Fenilalanina
Fenilalanina [Spanish]
H-Phe-OH
L-3-(p-(Bis(2-chloroethyl)amino)phenyl)-N-formylalanine
L-Antibiotic FN 1636
L-PHENYL ALANINE (SEE ALSO 22839-47-0, ASPARTAME
L-PHENYLALININE
L-Phenylalanine
L-Phenylalanine (JP15)
L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-formyl-(9CI)
N-Formyl-L-p-sarcolysin
N-Formyl-L-sarcolysin
N-Formylmelphalan
NCI9959
Phe
Phenylalanine
Phenylalanine (USP/INN)
Phenylalanine (VAN)
Phenylalanine [USAN:INN:JAN]
Phenylalaninum
Phenylalaninum [Latin]
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Structure
Formula
C9H11NO2
Molecular Weight
165.192
Canonical SMILES
N[C@@H](Cc1ccccc1)C(O)=O
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InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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InChIKey
COLNVLDHVKWLRT-QMMMGPOBSA-N
CAS
5297-02-9
67675-33-6
10549-09-4
Physicochemical Property
logP
0.641
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 6925665
SID: 15219430
ChEMBL ID
CHEMBL301523
DrugBank ID
DB00120
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: PT01001, E3 ubiquitin-protein ligase XIAP
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 80200 nM
   TI
   LI
   LO
   TS
Protein ID: PT03662, Intestinal-type alkaline phosphatase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 80200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 5000 nM
Protein ID: PT05556, Large neutral amino acids transporter small subunit 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 69000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 11000 nM
Clinical Information about the Compound
Drug 1 ( L-Phenylalanine )
Drug Name L-Phenylalanine
Indication
Malnutrition
Approved
Target(s)
Tyrosine 3-monooxygenase (TH)
Binder