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Compound Detail

CHEMBL199818

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O=C(c1cccnc1)N1CCN(c2nccc(OCc3ccc(Cl)cc3Cl)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199818
Phase Preclinical
Structure Type MOL
InChI Key SHZZAYXDCOOUSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
3.72
ALogP
6
HBA
0
HBD
71.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2N5O2
MW 444.32
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
16236499 10.1016/j.bmcl.2005.09.022 C-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine