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Compound Detail

CHEMBL27909

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CCNCCCNCCCCCCCCNCCCNCC

Basic Information

ChEMBL ID CHEMBL27909
Phase Preclinical
Structure Type MOL
InChI Key GFBIZPHYEIUDRZ-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.6
MW (Da)
2.51
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H42N4
MW 314.56
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.04

Activity Summary

IC50 5 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
IC50 5.41 5.06 3900.0 2
Calf thymus DNA
CHEMBL612514
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

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
19534534 10.1021/jm900187v L1210 1

Data from ChEMBL 36 via Core Engine