JNJ-49095397

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Synonyms
Status
Molecule Category Free-form
UNII I92MU0V408

Structure

InChI Key RTDCVLCTBQDLBW-UHFFFAOYSA-N
Smiles COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
InChI
InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H36N6O4
Molecular Weight 592.7
AlogP 6.83
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 119.4
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 5-40 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 52 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4-52 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3695568
FDA SRS I92MU0V408
PubChem 45109868
SureChEMBL SCHEMBL1695326
ZINC ZINC000068204489
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