Details of the Drug

General Information of Drug (ID: DM6YD3U)

Drug Name

6-fluorotryptophan

Synonyms

6-Fluoro-DL-tryptophan; 7730-20-3; 6-fluorotryptophan; 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid; DL-Tryptophan, 6-fluoro-; DL-6-Fluorotryptophane; (+-)-6-Fluorotryptophan; Tryptophan, 6-fluoro-, DL-; NSC 9364; 6-fluoro-D,L-tryptophan; EINECS 231-788-6; BRN 0482552; Tryptophan, 6-fluoro-; ST072163; 2-amino-3-(6-fluoroindol-3-yl)propanoic acid; 6-Fluoro-DL-tryptophan, 97%; D-Tryptophan, 6-fluoro-; 343-92-0; 6-Fluorotryptophan, DL-; ACMC-20mbi4; AC1Q5S5W; SCHEMBL248870; GTPL5126; CHEMBL472222; AC1L3T80; SCHEMBL18029199

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

222.22

Logarithm of the Partition Coefficient (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H11FN2O2
IUPAC Name: 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
Canonical SMILES: C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N
InChI: InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChIKey: YMEXGEAJNZRQEH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 94937
CAS Number: 7730-20-3
TTD ID: D0U9QD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
L-Tryptophan hydroxylase 2 (TPH2)	TT3KLDP	TPH2_HUMAN	Inhibitor	[2]
Tryptophan 5-hydroxylase 1 (TPH1)	TTZSJHV	TPH1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5126).
2	(+)-6-fluorotryptophan, an inhibitor of tryptophan hydroxylase: sleep and wakefulness in the rat. Neuropharmacology. 1981 Apr;20(4):335-9.