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Compound Detail

CHEMBL522233

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COc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NC3CCS(=O)(=O)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522233
Phase Preclinical
Structure Type MOL
InChI Key QQIBCGYSHGHDJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.7
MW (Da)
2.31
ALogP
10
HBA
2
HBD
117.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39N5O5S
MW 533.70
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.12

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