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Compound Detail

CHEMBL90452

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N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90452
Phase Preclinical
Structure Type MOL
InChI Key LYCVKHSJGDMDLM-LURJTMIESA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
-1.52
ALogP
4
HBA
4
HBD
121.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H12N4O3
MW 212.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.08

Activity Summary

IC50 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1
850236 10.1021/jm00214a009 Histidine decarboxylase 1

Data from ChEMBL 36 via Core Engine