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Compound Detail

CHEMBL292303

D-TRYPTOPHAN
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N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292303
Name D-TRYPTOPHAN
Phase Preclinical
Structure Type MOL
InChI Key QIVBCDIJIAJPQS-SECBINFHSA-N
0
Targets
2
Activities
2
Assay Types
30
PK Parameters
20
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.12
ALogP
2
HBA
3
HBD
79.1
PSA (Ų)
0.70
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 C11H12N2O2
MW 204.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.39

Activity Summary

IC50 1 meas.
Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
KA 0.81 uM Mus musculus
KA 12.0 uM Homo sapiens
KA 41.0 uM Homo sapiens
KA 41.0 uM Homo sapiens
KA 12.0 uM Homo sapiens
KA 39.6 uM Homo sapiens
KA 18.0 uM Homo sapiens
KA 1.24 uM Homo sapiens
KA 1.35 uM Homo sapiens
Ka 41.0 uM Homo sapiens
Ka 12.0 uM Homo sapiens
Ka 39.0 uM Homo sapiens
KA 41.0 uM Homo sapiens
KA 12.0 uM Homo sapiens
KA 43.6 uM Homo sapiens
KA 28.1 uM Homo sapiens
Ka 12.0 uM Homo sapiens
Ka 41.0 uM Methanothermobacter thermautotrophicus
Ka 90.0 uM Saccharomyces cerevisiae
Ka 41.0 uM Homo sapiens
Ka 12.0 uM Homo sapiens
Ka 0.37 uM Homo sapiens
Ka 19.0 uM Homo sapiens
Ka 40.0 uM Homo sapiens
Ka 1.24 uM Homo sapiens
Ka 1.35 uM Homo sapiens
Ka 39.0 uM Homo sapiens
Ka 39.0 uM Homo sapiens
Ka 43.0 uM Homo sapiens
Ka 28.0 uM Homo sapiens

Literature References

PubMed DOI Target Context # Activities
18930395 10.1016/j.bmcl.2008.10.005 Unchecked 3
30048132 10.1021/acs.jmedchem.8b01007 Large neutral amino acids transporter small subunit 1 3
20129782 10.1016/j.bmcl.2010.01.054 Carbonic anhydrase 3
18774300 10.1016/j.bmc.2008.08.043 Carbonic anhydrase 2 2
23294703 10.1016/j.bmcl.2012.12.009 Unchecked 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
20176489 10.1016/j.bmc.2010.01.059 Carbonic anhydrase 1 2
20176489 10.1016/j.bmc.2010.01.059 Unchecked 2
20176489 10.1016/j.bmc.2010.01.059 Carbonic anhydrase 6 2
20176489 10.1016/j.bmc.2010.01.059 Carbonic anhydrase 2 2
27881231 10.1016/j.bmcl.2016.11.027 Unchecked 2
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 1 1
18294854 10.1016/j.bmc.2008.02.021 Carbonic anhydrase 1 1
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 6 1
17499996 10.1016/j.bmc.2007.03.004 Carbonic anhydrase 2 1
17174092 10.1016/j.bmcl.2006.11.075 Carbonic anhydrase 5A, mitochondrial 1
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 14 1
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 2 1
17540561 10.1016/j.bmcl.2007.05.052 Carbonic anhydrase 1 1
34634741 10.1016/j.ejmech.2021.113875 Carbonic anhydrase 14 1

Data from ChEMBL 36 via Core Engine