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Compound Detail

CHEMBL379630

D-PHENYLALANINE
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N[C@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379630
Name D-PHENYLALANINE
Phase Preclinical
Structure Type MOL
InChI Key COLNVLDHVKWLRT-MRVPVSSYSA-N
1
Targets
1
Activities
1
Assay Types
30
PK Parameters
20
Publications
0
Known Names

Molecular Properties

165.2
MW (Da)
0.64
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H11NO2
MW 165.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.48

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Large neutral amino acids transporter small subunit 1
CHEMBL4459
 IC50 4.34 4.34 46000.0 1

Pharmacokinetic Data

Parameter Value Units Species
KA 0.035 uM Homo sapiens
KA 0.051 uM Mus musculus
KA 86.0 uM Homo sapiens
KA 86.0 uM Homo sapiens
KA 0.035 uM Homo sapiens
KA 9.74 uM Homo sapiens
KA 7.21 uM Homo sapiens
KA 4.63 uM Homo sapiens
KA 0.072 uM Homo sapiens
Ka 86.0 uM Homo sapiens
Ka 0.035 uM Homo sapiens
Ka 16.0 uM Homo sapiens
KA 86.0 uM Homo sapiens
KA 0.035 uM Homo sapiens
KA 9.3 uM Homo sapiens
KA 0.37 uM Homo sapiens
Ka 0.035 uM Homo sapiens
Ka 10.3 uM Methanothermobacter thermautotrophicus
Ka 86.0 uM Saccharomyces cerevisiae
Ka 86.0 uM Homo sapiens
Ka 0.035 uM Homo sapiens
Ka 15.4 uM Homo sapiens
Ka 49.3 uM Homo sapiens
KA 0.035 uM Homo sapiens
KA 86.0 uM Homo sapiens
KA 10.3 uM Methanothermobacter thermautotrophicus
KA 42.0 uM Methanosarcina thermophila
KA 24.0 uM Methanosarcina thermophila
KA 15.4 uM Homo sapiens
KA 49.3 uM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Large neutral amino acids transporter small subunit 1 IC50 = 46000.0 nM 4.34 Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed a... 30048132

Literature References

PubMed DOI Target Context # Activities
39283654 10.1021/acs.jmedchem.4c01866 Mus musculus 10
19442419 10.1016/j.ejmech.2009.04.018 Rattus norvegicus 7
36244185 10.1016/j.ejmech.2022.114828 Mus musculus 7
18472188 10.1016/j.ejmech.2008.03.035 Rattus norvegicus 6
30048132 10.1021/acs.jmedchem.8b01007 Large neutral amino acids transporter small subunit 1 4
20129782 10.1016/j.bmcl.2010.01.054 Carbonic anhydrase 3
18930395 10.1016/j.bmcl.2008.10.005 Unchecked 3
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 7 2
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 14 2
23294703 10.1016/j.bmcl.2012.12.009 Unchecked 2
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 2 2
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 1 2
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 2 2
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 6 2
18294854 10.1016/j.bmc.2008.02.021 Carbonic anhydrase 1 2
18294854 10.1016/j.bmc.2008.02.021 Carbonic anhydrase 2 2
18294854 10.1016/j.bmc.2008.02.021 Carbonic anhydrase 9 2
18294854 10.1016/j.bmc.2008.02.021 Carbonic anhydrase 12 2
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 1 2
22999416 10.1016/j.bmcl.2012.08.088 Carbonic anhydrase 2 2

Data from ChEMBL 36 via Core Engine