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Compound Detail

CHEMBL4463439

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COc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463439
Phase Preclinical
Structure Type MOL
InChI Key ZJSSHQZGJKPACR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN3O2
MW 375.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
30595446 10.1016/j.bmcl.2018.12.024 C-C chemokine receptor type 1 1
30595446 10.1016/j.bmcl.2018.12.024 No relevant target 1

Data from ChEMBL 36 via Core Engine