LENRISPODUN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3GBO34D1BE

Structure
InChI Key BBIPVJCGIASXJB-PKTZIBPZSA-N
Smile CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
InChI
InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H26FN7O
Molecular Weight 507.57
AlogP 5.06
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 78.65
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- - - 62 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 1 D010300 ClinicalTrials
Heart Failure, Systolic 1 D054143 ClinicalTrials
Schizophrenia 1 D012559 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3769414
DrugBank DB15039
FDA SRS 3GBO34D1BE
PDB 4QJ
SureChEMBL SCHEMBL10201342
ZINC ZINC000142626599
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