PRN-1371

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Synonyms
Status
Molecule Category Free-form
UNII S3OPE9IA3Q

Structure

InChI Key PUIXMSRTTHLNKI-UHFFFAOYSA-N
Smiles C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1
InChI
InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30Cl2N6O4
Molecular Weight 561.47
AlogP 3.54
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 101.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase PEK subfamily
- 792 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 0.6-19.3 - 1.3-73 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 556 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 556 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 8.1 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 371-639 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 272 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 410-705 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.6-792 - 1.3-73 -
Rattus norvegicus
- - - - 93.5-99.5

Cross References

Resources Reference
CAS NUMBER 1802929-43-6
ChEMBL CHEMBL4068509
FDA SRS S3OPE9IA3Q
Guide to Pharmacology 9788
SureChEMBL SCHEMBL16993012
CONTENTS