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Compound Detail

CHEMBL1688885

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N=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688885
Phase Preclinical
Structure Type MOL
InChI Key KFUUNCWBPPWRGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.7
MW (Da)
2.85
ALogP
4
HBA
3
HBD
83.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClN3O3
MW 317.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
21341682 10.1021/jm1012903 C-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine