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Compound Detail

CHEMBL3220260

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C#CC(O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220260
Phase Preclinical
Structure Type MOL
InChI Key CMTDXZAPENVURQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.01
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O2
MW 328.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20134H Unchecked 1

Data from ChEMBL 36 via Core Engine