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Compound Detail

CHEMBL543409

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Cl.NCCCCNCc1ccccc1

Basic Information

ChEMBL ID CHEMBL543409
Phase Preclinical
Structure Type MOL
InChI Key UCMTVAINUSHTIG-UHFFFAOYSA-N
Parent Compound CHEMBL23145
Active Moiety CHEMBL23145
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

178.3
MW (Da)
1.52
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.65
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 C11H19ClN2
MW 214.74
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.43

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
11606130 10.1021/jm010897q 3LL cell line 8
11606130 10.1021/jm010897q Nucleic Acid 1
11606130 10.1021/jm010897q CHO 1
11606130 10.1021/jm010897q CHO-MG 1

Data from ChEMBL 36 via Core Engine