Compound Detail

CHEMBL4648216

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C=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4648216
Phase	Preclinical
Structure Type	MOL
InChI Key	OQVKOZLZNWNAHC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

283.2

MW (Da)

3.85

ALogP

HBA

HBD

29.1

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas.

Parameter	Value	Units	Species
T1/2	1.8	hr	-
T1/2	5.3	hr	-
T1/2	0.8	hr	-
T1/2	6.1	hr	-
T1/2	5.5	hr	-
T1/2	4.2	hr	-
T1/2	5.7	hr	-
T1/2	4.2	hr	-
T1/2	4.2	hr	-
T1/2	72.0	hr	-

PubMed	DOI	Target Context	# Activities
32081630	10.1016/j.bmc.2020.115357	ADMET	7
30321804	10.1016/j.ejmech.2018.10.010	Unchecked	7
32971426	10.1016/j.ejmech.2020.112836	No relevant target	4
32971426	10.1016/j.ejmech.2020.112836	Tyrosine-protein kinase JAK3	3
30321804	10.1016/j.ejmech.2018.10.010	Cathepsin B	2
32081630	10.1016/j.bmc.2020.115357	No relevant target	1
30321804	10.1016/j.ejmech.2018.10.010	ADMET	1
32971426	10.1016/j.ejmech.2020.112836	Tyrosine-protein kinase BTK	1
32971426	10.1016/j.ejmech.2020.112836	Mitogen-activated protein kinase 1	1
32971426	10.1016/j.ejmech.2020.112836	Ribosomal protein S6 kinase alpha-3	1
32971426	10.1016/j.ejmech.2020.112836	Dual specificity mitogen-activated protein kinase kinase 4	1
32971426	10.1016/j.ejmech.2020.112836	Maternal embryonic leucine zipper kinase	1
38086467	10.1016/j.bmcl.2023.129588	Unchecked	1
38086467	10.1016/j.bmcl.2023.129588	ADMET	1

Data from ChEMBL 36 via Core Engine