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Compound Detail

CHEMBL222617

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COc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222617
Phase Preclinical
Structure Type MOL
InChI Key JSJKAIQJGDEDOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.84
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O2
MW 266.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
17850126 10.1021/jm070688r ScN2a 2
17850126 10.1021/jm070688r NON-PROTEIN TARGET 1
17850126 10.1021/jm070688r NB69 1
17850126 10.1021/jm070688r ADMET 1

Data from ChEMBL 36 via Core Engine