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Compound Detail

CHEMBL4240267

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N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4240267
Phase Preclinical
Structure Type MOL
InChI Key NMXSWQMJOZUQKY-LBPRGKRZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
0.89
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O2
MW 245.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
30048132 10.1021/acs.jmedchem.8b01007 Large neutral amino acids transporter small subunit 1 3
31248771 10.1016/j.bmcl.2019.06.033 Large neutral amino acids transporter small subunit 1 3

Data from ChEMBL 36 via Core Engine