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Compound Detail

CHEMBL2172730

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COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172730
Phase Preclinical
Structure Type MOL
InChI Key DYWFXVYLGUVYBI-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.42
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.57
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 C18H18N4O3
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
22891752 10.1021/jm300514y Unchecked 2

Data from ChEMBL 36 via Core Engine