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Compound Detail

CHEMBL1382220

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Cc1cc(O)n2cc(-c3ccccc3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1382220
Phase Preclinical
Structure Type MOL
InChI Key YLEDAQSGJNLHRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
2.41
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
32134652 10.1021/acs.jmedchem.9b01967 Autotaxin 2

Data from ChEMBL 36 via Core Engine