LX-7101

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Synonyms
Status
Molecule Category Free-form
UNII 74B3C4ZT96

Structure

InChI Key PWPNYABQEOGNNC-UHFFFAOYSA-N
Smiles Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12
InChI
InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N7O3
Molecular Weight 451.53
AlogP 2.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 129.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- 10-340 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LISK family TKL protein kinase LIMK subfamily
- 1.6-54 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
8.7 1.6-340 - - -

Cross References

Resources Reference
CAS NUMBER 1192189-69-7
ChEMBL CHEMBL3356433
DrugBank DB16009
FDA SRS 74B3C4ZT96
SureChEMBL SCHEMBL2713449
ZINC ZINC000142095785
CONTENTS