SELONSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NS3988A2TC

Structure
InChI Key YIDDLAAKOYYGJG-UHFFFAOYSA-N
Smile Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChI
InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24FN7O
Molecular Weight 445.5
AlogP 4.68
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 90.52
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Mitogen-activated protein kinase kinase kinase 5 inhibitor PubMed
Primary Target
mitogen-activated protein kinase kinase kinase 5
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase ASK
- 6247 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
2 3-24 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 2 D003928 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials
Hepatitis, Alcoholic 2 D006519 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1448428-04-3
ChEMBL CHEMBL3916717
DrugBank DB14916
FDA SRS NS3988A2TC
Guide to Pharmacology 9040
PDB NJV
PubChem 71245288
SureChEMBL SCHEMBL14672984
ZINC ZINC000149387856
CONTENTS