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Compound Detail

CHEMBL79630

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NCCCNC(F)(F)CCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79630
Phase Preclinical
Structure Type MOL
InChI Key RPHHNYXCKNETDM-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
0.26
ALogP
3
HBA
3
HBD
64.1
PSA (Ų)
0.39
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 C7H17F2N3
MW 181.23
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.11

Activity Summary

IC50 4 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine