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Compound Detail

CHEMBL143980

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COc1cccc(-n2c(O)c3ncnc-3c3cccnc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143980
Phase Preclinical
Structure Type MOL
InChI Key RJYSKHNBFCOBTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.63
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.61
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 C16H12N4O2
MW 292.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine