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Compound Detail

CHEMBL4161249

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COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161249
Phase Preclinical
Structure Type MOL
InChI Key ZFUODMJWQQVEAD-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
5.05
ALogP
5
HBA
3
HBD
112.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27F3N4O4
MW 552.55
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
29102463 10.1016/j.ejmech.2017.09.023 N-formyl peptide receptor 2 4
29102463 10.1016/j.ejmech.2017.09.023 fMet-Leu-Phe receptor 2
29102463 10.1016/j.ejmech.2017.09.023 ADMET 1

Data from ChEMBL 36 via Core Engine