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Compound Detail

CHEMBL80850

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NCCCc1ccc(CCCN)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80850
Phase Preclinical
Structure Type MOL
InChI Key UCIIMVLFNCETFE-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
1.47
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2
MW 192.31
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.23

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
1875339 10.1021/jm00112a016 Nucleic Acid 2
1875339 10.1021/jm00112a016 HeLa 2
1875339 10.1021/jm00112a016 Calf thymus DNA 1

Data from ChEMBL 36 via Core Engine