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Compound Detail

CHEMBL381966

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O=C(CCN1CCCC1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381966
Phase Preclinical
Structure Type MOL
InChI Key KAKHZXYRJRTAFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.56
ALogP
4
HBA
2
HBD
57.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O
MW 410.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
16420044 10.1021/jm050555a Telomerase reverse transcriptase 1
16420044 10.1021/jm050555a Nucleic Acid 1

Data from ChEMBL 36 via Core Engine