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Compound Detail

CHEMBL219656

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O=C1CC(Cc2ccccc2)=NN1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219656
Phase Preclinical
Structure Type MOL
InChI Key YAKFVICLDYQJRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.02
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.82
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 C16H14N2O
MW 250.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.74

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