Details of the Drug

General Information of Drug (ID: DMF8EJ6)

Drug Name

Iodo-Phenylalanine

Synonyms

4-Iodo-L-phenylalanine; 24250-85-9; 4-Iodophenylalanine; L-4-Iodophenylalanine; H-Phe(4-I)-OH; IODO-PHENYLALANINE; (2S)-2-amino-3-(4-iodophenyl)propanoic acid; p-Iodo-l-phenylalanine; (S)-2-Amino-3-(4-iodophenyl)propanoic acid; Phenylalanine, 4-iodo-; p-IODOPHENYLALANINE; L-Phenylalanine, 4-iodo-; UNII-J882Z73MPL; L-4-Iodophe; (L)-4-iodophenylalanine; 1991-81-7; J882Z73MPL; MFCD00002602; (2S)-2-azanyl-3-(4-iodophenyl)propanoic acid; DL-4-iodophenylalanine; para-Iodophenylalanine; 4-iod-l-phenylalanin; 4-Iodo-L-phenylalaine

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

291.09

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H10INO2
IUPAC Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
Canonical SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)I
InChI: InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: PZNQZSRPDOEBMS-QMMMGPOBSA-N