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Compound Detail

CHEMBL550414

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CC[C@@H](Nc1c(Nc2cc(-c3ccccc3)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL550414
Phase Preclinical
Structure Type MOL
InChI Key JUBBZVIGYJZSSO-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
4.66
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N3O4
MW 469.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
19525110 10.1016/j.bmcl.2009.05.049 C-X-C chemokine receptor type 1 1
19525110 10.1016/j.bmcl.2009.05.049 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine