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Compound Detail

CHEMBL225208

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CN(C)CCN1Cc2cccc3cccc(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225208
Phase Preclinical
Structure Type MOL
InChI Key CPOVIVNRQQBLFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.72
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2
MW 240.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
17035038 10.1016/j.bmc.2006.09.029 DNA polymerase I, thermostable 1
17035038 10.1016/j.bmc.2006.09.029 NCI-H460 1
17035038 10.1016/j.bmc.2006.09.029 HT-29 1
17035038 10.1016/j.bmc.2006.09.029 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine