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Compound Detail

CHEMBL3184436

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COc1ccc(C(=O)NCc2ccncn2)cc1OC1CCN(C(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3184436
Phase Preclinical
Structure Type MOL
InChI Key MXQJHGHFRAQKMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.67
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O3
MW 384.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.32

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