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Compound Detail

CHEMBL3301821

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COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC(C)CN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3301821
Phase Preclinical
Structure Type MOL
InChI Key CGXVRWWJKUNAIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.07
ALogP
6
HBA
1
HBD
76.8
PSA (Ų)
0.73
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 C20H29N3O4
MW 375.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
25801932 10.1016/j.bmcl.2015.02.058 High affinity choline transporter 1 4

Data from ChEMBL 36 via Core Engine