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Compound Detail

CHEMBL5174501

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COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)[nH]n2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174501
Phase Preclinical
Structure Type MOL
InChI Key NDJNTAACXYUXSJ-DJJJIMSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.8
MW (Da)
3.71
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClF2N4O2
MW 418.83
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
35707160 10.1021/acsmedchemlett.2c00079 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine