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Compound Detail

CHEMBL538032

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Cl.NCCCCNCc1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL538032
Phase Preclinical
Structure Type MOL
InChI Key CKIJFXQNSOPROI-UHFFFAOYSA-N
Parent Compound CHEMBL1189091
Active Moiety CHEMBL1189091
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

196.3
MW (Da)
1.65
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.68
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 C11H18ClFN2
MW 232.73
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.94

Activity Summary

IC50 2 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