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Compound Detail

CHEMBL499592

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COc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499592
Phase Preclinical
Structure Type MOL
InChI Key GQWOASRGSHATHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

554.1
MW (Da)
4.65
ALogP
8
HBA
1
HBD
74.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40ClN5O3
MW 554.14
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.94

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