phenylalanine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
2144 63-91-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • L-Phenylalanine
  • phenylalanine
An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.
  • Molecular weight: 165.19
  • Formula: C9H11NO2
  • CLOGP: -1.56
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 63.32
  • ALOGS: -1.60
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.398 Moderate 0.78
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.412 Moderate 0.78
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.327 10^-6 cm/s Moderate 0.78
dh-clint Dog hepatocyte intrinsic clearance 0.938 uL/min/10^6 cells Moderate 0.78
dppb Dog plasma protein binding (% unbound) 88.730 % Moderate 0.78
fcs-ppb Fetal calf serum protein binding (% unbound) 82.020 % Moderate 0.78
herg hERG pIC50 4.980 pIC50 Moderate 0.78
hh-clint Human hepatocyte intrinsic clearance 1.758 uL/min/10^6 cells Moderate 0.78
hlm-clint Human liver microsomal intrinsic clearance 3.048 uL/min/mg protein Moderate 0.78
hppb Human plasma protein binding (% unbound) 94.910 % Moderate 0.78
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SYK,TEK,TGFBR1 29
kinase-selectivity-class AXL,GRK2,MAP2K6,PDK4 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.950 Moderate 0.78
mh-clint Mouse hepatocyte intrinsic clearance 1.416 Moderate 0.78
mppb Mouse plasma protein binding (% unbound) 95.760 Moderate 0.78
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.733 Moderate 0.78
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 91.410 % Moderate 0.78
rh-clint Rat hepatocyte intrinsic clearance 1.057 uL/min/10^6 cells Moderate 0.78
rh-fuinc Rat hepatocyte fraction unbound in incubation 88.350 % Moderate 0.78
rppb Rat plasma protein binding (% unbound) 92.010 % Moderate 0.78
solubility-dd Solubility at pH 7.4 in DMSO 881.049 uM Moderate 0.78

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Foetal growth restriction 89.65 69.82 15 128 9365 90618939

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:27027 micronutrient
CHEBI has role CHEBI:50733 nutraceutical
CHEBI has role CHEBI:63332 EC 3.1.3.1 (alkaline phosphatase) inhibitor
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:75772 <em>Saccharomyces cerevisiae </em> metabolite
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76967 human xenobiotic metabolite
CHEBI has role CHEBI:76971 <em>Escherichia coli</em> metabolite
CHEBI has role CHEBI:84735 algal metabolite
CHEBI has role CHEBI:83056 <em>Daphnia magna</em> metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Classical phenylketonuria contraindication 7573000
Poisoning by digitalis glycoside contraindication 12876009
Sarcoidosis contraindication 31541009 DOID:11335
End stage renal disease contraindication 46177005 DOID:784
Humoral hypercalcemia of malignancy contraindication 47709007
Heart disease contraindication 56265001 DOID:114
Hypercalcemia contraindication 66931009 DOID:12678
Ventricular fibrillation contraindication 71908006
Hypercalciuria contraindication 71938000
Kidney disease contraindication 90708001 DOID:557
Kidney stone contraindication 95570007




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.27 acidic
pKa2 9.25 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Large neutral amino acids transporter small subunit 1 Transporter IC50 4.16 CHEMBL
Probable G-protein coupled receptor 139 GPCR AGONIST IC50 4.51 IUPHAR
Intestinal-type alkaline phosphatase Enzyme IC50 4 CHEMBL
E3 ubiquitin-protein ligase XIAP Enzyme IC50 4.10 CHEMBL
Pyruvate kinase PKM Enzyme IC50 10.26 CHEMBL
Voltage-dependent calcium channel subunit alpha-2/delta-1 Ion channel Ki 6.01 CHEMBL
L-type amino acid transporter 1 Transporter Ki 4.26 CHEMBL
Intestinal alkaline phosphatase Enzyme IC50 4.10 CHEMBL

External reference:

IDSource
4018673 VUID
N0000146984 NUI
4018673 VANDF
C0031453 UMLSCUI
CHEBI:17295 CHEBI
PHE PDB_CHEM_ID
CHEMBL301523 ChEMBL_ID
DB00120 DRUGBANK_ID
D010649 MESH_DESCRIPTOR_UI
6140 PUBCHEM_CID
6168 INN_ID
47E5O17Y3R UNII
8156 RXNORM
40037 MMSL
NOCODE MMSL
003542 NDDF
1342410001 SNOMEDCT_US
421626005 SNOMEDCT_US
63004003 SNOMEDCT_US
3313 IUPHAR_LIGAND_ID
47E5O17Y3R INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
TrophAmine HUMAN PRESCRIPTION DRUG LABEL 20 0264-1933 SOLUTION 0.48 g INTRAVENOUS NDA 23 sections
Plenamine HUMAN PRESCRIPTION DRUG LABEL 17 0264-4500 SOLUTION 1.04 g INTRAVENOUS ANDA 20 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-0180 INJECTION 448 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-0184 INJECTION 448 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-0188 INJECTION 448 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-0194 INJECTION 448 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-0198 INJECTION 336 mg INTRAVENOUS NDA 21 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 20 0338-0202 INJECTION 448 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 20 0338-0206 INJECTION 448 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 20 0338-0210 INJECTION 448 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 20 0338-0214 INJECTION 448 mg INTRAVENOUS NDA 20 sections
ProSol HUMAN PRESCRIPTION DRUG LABEL 17 0338-0499 INJECTION, SOLUTION 1 g INTRAVENOUS NDA 21 sections
Clinisol HUMAN PRESCRIPTION DRUG LABEL 17 0338-0502 INJECTION, SOLUTION 1.04 g INTRAVENOUS ANDA 18 sections
Travasol HUMAN PRESCRIPTION DRUG LABEL 15 0338-0644 INJECTION 560 mg INTRAVENOUS NDA 20 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1089 INJECTION 238 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1091 INJECTION 238 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1099 INJECTION 280 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1101 INJECTION 280 mg INTRAVENOUS NDA 21 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1113 INJECTION 238 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1115 INJECTION 238 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1123 INJECTION 280 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1125 INJECTION 280 mg INTRAVENOUS NDA 20 sections
Premasol - sulfite-free (Amino Acid) HUMAN PRESCRIPTION DRUG LABEL 19 0338-1130 INJECTION, SOLUTION 0.48 g INTRAVENOUS ANDA 15 sections
Premasol - sulfite-free (Amino Acid) HUMAN PRESCRIPTION DRUG LABEL 19 0338-1131 INJECTION, SOLUTION 0.29 g INTRAVENOUS ANDA 15 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1133 INJECTION 238 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1134 INJECTION 238 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1137 INJECTION 280 mg INTRAVENOUS NDA 21 sections
CLINIMIX HUMAN PRESCRIPTION DRUG LABEL 16 0338-1138 INJECTION 280 mg INTRAVENOUS NDA 21 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1142 INJECTION 154 mg INTRAVENOUS NDA 20 sections
CLINIMIX E HUMAN PRESCRIPTION DRUG LABEL 21 0338-1144 INJECTION 238 mg INTRAVENOUS NDA 20 sections