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Compound Detail

CHEMBL4303259

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Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4303259
Phase Preclinical
Structure Type MOL
InChI Key XVOKFRPKSAWELK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

389.3
MW (Da)
4.51
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F3N3O3
MW 389.33
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
36205722 10.1021/acs.jmedchem.2c00751 LIM domain kinase 1 3
36205722 10.1021/acs.jmedchem.2c00751 LIM domain kinase 2 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29908439 10.1016/j.ejmech.2018.06.016 PANC-1 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
36205722 10.1021/acs.jmedchem.2c00751 LIM domain kinase 1/2 1

Data from ChEMBL 36 via Core Engine