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Compound Detail

CHEMBL408404

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C[C@H](c1ccccc1)n1cncc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408404
Phase Preclinical
Structure Type MOL
InChI Key RGYCCBLTSWHXIS-SECBINFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
2.19
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O2
MW 216.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19497738 10.1016/j.bmcl.2009.05.065 Unchecked 2
18348518 10.1021/jm800012w Unchecked 1

Data from ChEMBL 36 via Core Engine