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Compound Detail

CHEMBL198077

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CN1CCCC(C(=O)NCCCNc2nccc(OCc3ccc(Cl)cc3Cl)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198077
Phase Preclinical
Structure Type MOL
InChI Key AZHLRQZEGDQSJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
3.62
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27Cl2N5O2
MW 452.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.75

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