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Compound Detail

CHEMBL175148

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CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCn2nnn(CC)c2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175148
Phase Preclinical
Structure Type MOL
InChI Key UFJWUBXZEGCWLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
1.30
ALogP
9
HBA
0
HBD
102.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N6O4
MW 444.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
2709383 10.1021/jm00125a008 Mus musculus 4
2709383 10.1021/jm00125a008 Opioid receptor 1

Data from ChEMBL 36 via Core Engine