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Compound Detail

CHEMBL539114

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C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)cc1.[Cl-].[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539114
Phase Preclinical
Structure Type MOL
InChI Key WRYFSAOXEZCXSD-UHFFFAOYSA-L
Parent Compound CHEMBL1189638
Active Moiety CHEMBL1189638
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.4
MW (Da)
2.10
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H26Cl2N2
MW 293.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine