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Compound Detail

CHEMBL4563543

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O=C(NCc1cccc(C(F)(F)F)c1)c1ncnc2c1cnn2-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4563543
Phase Preclinical
Structure Type MOL
InChI Key UBIALUWJFOWIHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F4N5O
MW 415.35
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.16

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