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Compound Detail

CHEMBL3914980

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CC(C(=O)COc1ccc(-c2ccccc2)cc1)n1cnnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3914980
Phase Preclinical
Structure Type MOL
InChI Key QFXDUDWYSPMKQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
2.55
ALogP
6
HBA
0
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O2
MW 308.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
27989417 10.1016/j.bmc.2016.11.025 ADMET 1
27989417 10.1016/j.bmc.2016.11.025 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine