Synonyms
Status
Molecule Category Free-form
ATC M09AX10
UNII 76RS4S2ET1

Structure

InChI Key ASKZRYGFUPSJPN-UHFFFAOYSA-N
Smiles Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1
InChI
InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23N7O
Molecular Weight 401.47
AlogP 1.96
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 79.83
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
SMN2 pre-mRNA positive modulator POSITIVE MODULATOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
67 113 - - -
Macaca fascicularis
- 155 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297528
DrugBank DB15305
FDA SRS 76RS4S2ET1
Guide to Pharmacology 11170
PubChem 118513932
SureChEMBL SCHEMBL17260852