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Compound Detail

CHEMBL2385575

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COc1ccc(-c2cnc3ccnn3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385575
Phase Preclinical
Structure Type MOL
InChI Key VERQSLXHYIALTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
2.40
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
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 -1.41

Literature References

PubMed DOI Target Context # Activities
23639540 10.1016/j.bmcl.2013.03.113 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine