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Compound Detail

CHEMBL301345

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O=C1C=C(N2CCCC2)C(N2CCCC2)=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301345
Phase Preclinical
Structure Type MOL
InChI Key UHHHWVGYYDXSNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.10
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O2
MW 246.31
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
8515418 10.1021/jm00065a001 EMT6 4

Data from ChEMBL 36 via Core Engine