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Compound Detail

CHEMBL4592988

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O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)c(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4592988
Phase Preclinical
Structure Type MOL
InChI Key NXBNNRDKPVVLMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.2
MW (Da)
5.13
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12Cl2F3N3O
MW 414.21
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.47

Literature References

PubMed DOI Target Context # Activities
30455146 10.1016/j.bmcl.2018.11.015 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine