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Compound Detail

CHEMBL377931

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O=C(O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377931
Phase Preclinical
Structure Type MOL
InChI Key VHHPNELKVATLRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3
MW 311.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
16640325 10.1021/jm050965z C-C chemokine receptor type 8 2
16640325 10.1021/jm050965z Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine