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Compound Detail

CHEMBL242948

CARNOSINE
🧪 Phase III
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🧪 Phase III
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242948
Name CARNOSINE
Phase Phase III
Structure Type MOL
InChI Key CQOVPNPJLQNMDC-ZETCQYMHSA-N

Known Names

Carnosine NSC-524045
3
Targets
4
Activities
2
Assay Types
10
PK Parameters
20
Publications
2
Known Names
3
Indications

Molecular Properties

226.2
MW (Da)
-1.13
ALogP
4
HBA
4
HBD
121.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -nosine

Extended Properties

Molecular Formula C9H14N4O3
MW 226.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.01

Indications

Peripheral Arterial Disease Persian Gulf Syndrome Schizophrenia

Activity Summary

EC50 2 meas. best 5.52
Ki 2 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.52 5.52 3000.0 1
Solute carrier family 15 member 2
CHEMBL1743125
 EC50 4.55 4.55 28000.0 1
Solute carrier family 15 member 2
CHEMBL3325
 Ki 4.18 4.18 66000.0 1

Pharmacokinetic Data

Parameter Value Units Species
KA 1.3 uM -
KA 35.0 uM -
KA 18.0 uM -
KA 1.3 uM -
KA 35.0 uM -
KA 18.0 uM -
KA 15.0 uM Homo sapiens
T1/2 0.08333 hr Homo sapiens
T1/2 5.8 hr Homo sapiens
T1/2 7.8 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 3000.0 nM 5.52 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... 27420919
Solute carrier family 15 member 2 EC50 = 28000.0 nM 4.55 Substrate uptake by the Peptide Transporter 2 (PEPT2, SLC15A2) as assessed by th... -
Solute carrier family 15 member 2 Ki = 66000.0 nM 4.18 TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells 11007306

Literature References

PubMed DOI Target Context # Activities
27451257 10.1016/j.ejmech.2016.04.069 No relevant target 20
17336428 10.1016/j.ejmech.2006.12.036 Unchecked 14
28475972 10.1016/j.ejmech.2017.04.060 Amyloid-beta precursor protein 11
21182325 10.1021/jm101394n NON-PROTEIN TARGET 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
28475972 10.1016/j.ejmech.2017.04.060 No relevant target 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
28475972 10.1016/j.ejmech.2017.04.060 Unchecked 2
30522055 10.1016/j.ejmech.2018.11.060 No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23792353 10.1016/j.ejmech.2013.05.009 NON-PROTEIN TARGET 2
28535470 10.1016/j.ejmech.2017.05.034 IL15-IL15 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
8531138 - Solute carrier family 15 member 1 2
22626653 10.1016/j.ejmech.2012.04.032 Thoracic aorta 2
22626653 10.1016/j.ejmech.2012.04.032 Rattus norvegicus 2
19261478 10.1016/j.bmc.2009.02.018 NON-PROTEIN TARGET 1
19261478 10.1016/j.bmc.2009.02.018 ADMET 1
- 10.5281/zenodo.7360449 Solute carrier family 15 member 2 1
11784133 10.1021/jm010958k Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine