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Compound Detail

CHEMBL3695568

JNJ-49095397
🧪 Phase II
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🧪 Phase II
COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3695568
Name JNJ-49095397
Phase Phase II
Structure Type MOL
InChI Key RTDCVLCTBQDLBW-UHFFFAOYSA-N

Known Names

Jnj-49095397 RV-568 Rv568
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
3
Known Names
3
Indications

Molecular Properties

592.7
MW (Da)
6.83
ALogP
7
HBA
3
HBD
119.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C34H36N6O4
MW 592.70
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.61

Indications

Pulmonary Disease, Chronic Obstructive Rhinitis, Allergic, Seasonal Respiratory Syncytial Virus Infections

Activity Summary

IC50 9 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.4 8.275 4.0 2
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 8.3 8.3 5.0 2
Mitogen-activated protein kinase 12
CHEMBL4674
 IC50 7.4 6.9 40.0 2
Tyrosine-protein kinase HCK
CHEMBL3234
 IC50 7.33 7.305 47.0 2
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.79 6.79 162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 4.0 nM 8.4 Antiinflammatory activity in differentiated human U937 cells assessed as inhibit... 26800309
Mitogen-activated protein kinase 14 IC50 = 5.0 nM 8.3 Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... -
Mitogen-activated protein kinase 14 IC50 = 5.0 nM 8.3 Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-... 26800309
NON-PROTEIN TARGET IC50 = 7.0 nM 8.15 Antiinflammatory activity in differentiated human U937 cells assessed as inhibit... 26800309
Mitogen-activated protein kinase 12 IC50 = 40.0 nM 7.4 Inhibition of human recombinant p38 gamma assessed as phosphorylation of MAPKAP-... 26800309
Tyrosine-protein kinase HCK IC50 = 47.0 nM 7.33 Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... -
Tyrosine-protein kinase HCK IC50 = 52.0 nM 7.28 Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET pepti... 26800309
Proto-oncogene tyrosine-protein kinase Src IC50 = 162.0 nM 6.79 Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... -
Mitogen-activated protein kinase 12 IC50 = 402.0 nM 6.4 Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... -

Literature References

PubMed DOI Target Context # Activities
26800309 10.1021/acs.jmedchem.5b01029 NON-PROTEIN TARGET 4
26800309 10.1021/acs.jmedchem.5b01029 Mus musculus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
26800309 10.1021/acs.jmedchem.5b01029 Molecular identity unknown 1
26800309 10.1021/acs.jmedchem.5b01029 Mitogen-activated protein kinase 12 1
26800309 10.1021/acs.jmedchem.5b01029 Tyrosine-protein kinase HCK 1
26800309 10.1021/acs.jmedchem.5b01029 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine