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Compound Detail

CHEMBL108382

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CCCN1Cc2cccc3[nH]c(=O)c(=O)n(c23)CC1C

Basic Information

ChEMBL ID CHEMBL108382
Phase Preclinical
Structure Type MOL
InChI Key CCIDXHRGBIOSBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
1.30
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.84
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 C15H19N3O2
MW 273.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine