General Information of the Compound
Compound ID
CP0049411
Compound Name
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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Synonyms
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
(L)-TRYPTOPHAN
(S)-(-)-2-Amino-3-(3-indolyl)propionic Acid
(S)-(-)-Tryptopha n
(S)-(-)-Tryptophan
(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid
(S)-2-Amino-3-(3-indolyl)propionic acid
(S)-Tryptophan
(S)-a-Amino-1H-indole-3-propanoic acid
(S)-a-Amino-b-indolepropionic acid
(S)-a-Aminoindole-3-propionic acid
(S)-alpha-Amino-1H-indole-3-propanoic acid
(S)-alpha-Amino-beta-indolepropionic acid
(S)-alpha-Aminoindole-3-propionic acid
(S)-alpha-amino-beta-(3-indolyl)-propionic acid
1-beta-3-Indolylalanine
151A3008-4CFE-40C9-AC0B-467EF0CB50EA
1H-Indole-3-alanine
1H-Indole-3-alanine (VAN)
1beta-3-Indolylalanine
2-Amino-3-(lH-indol-3-yl)-propanoic acid
2-Amino-3-indolylpropanoic acid
2-amino-3-indol-3-ylpropionic acid
3-Indol-3-ylalanine
Alanine, 3-indol-3-yl
Alpha'-Amino-3-indolepropionic acid
Alpha-Amino-beta-(3-indolyl)-propionic acid
Alpha-amino-beta-(3-indolyl)-pr opionic acid
Alti-Tryptophan
Ardeytropin
EH 121
H-Trp-oh
Indole-3-alanine
Kalma
L-(-)-Tryptophan
L-(-)-Tryptophane
L-TRYPTOPHAN SIGMA GRADE
L-Trp
L-Tryptofan
L-Tryptophan
L-Tryptophan (9CI)
L-Tryptophan (JP15)
L-Tryptophane
L-Ttp
L-a-Aminoindole-3-propionic acid
L-alpha-Aminoindole-3-propionic acid
L-alpha-amino-3-indolepropionic acid
L-b-3-Indolylalanine
L-beta-3-Indolylalanine
LTR
Lyphan
MT1
Optimax
Pacitron
Propionic acid, 2-amino-3-indol-3-yl
S(-)-1-alpha-Aminoindole-3-propionic acid
Sedanoct
T 0254
TRP NH3+ COOH
TRP-01
Triptofano
Triptofano [Spanish]
Trofan
Trp
Tryptacin
Tryptan
Tryptophan (H-3)
Tryptophan (USP/INN)
Tryptophan (VAN)
Tryptophan [USAN:INN]
Tryptophan, L-(8CI)
Tryptophane
Tryptophane [French]
Tryptophanum
Tryptophanum [Latin]
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Structure
Formula
C11H12N2O2
Molecular Weight
204.229
Canonical SMILES
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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InChIKey
QIVBCDIJIAJPQS-VIFPVBQESA-N
CAS
80206-30-0
Physicochemical Property
logP
1.1223
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
79.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 6923516
SID: 15195597
ChEMBL ID
CHEMBL54976
DrugBank ID
DB00150
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: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( L-Tryptophan )
Drug Name L-Tryptophan
Indication
Depression
Approved
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
Binder