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Compound Detail

CHEMBL463522

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COc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463522
Phase Preclinical
Structure Type MOL
InChI Key HJWMGWLIOBSHCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.1
MW (Da)
3.77
ALogP
9
HBA
2
HBD
117.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34ClN5O5S
MW 576.12
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
19081254 10.1016/j.bmc.2008.11.020 C-C chemokine receptor type 4 3

Data from ChEMBL 36 via Core Engine