ROLIPRAM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K676NL63N7

Structure
InChI Key HJORMJIFDVBMOB-UHFFFAOYSA-N
Smile COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
InChI
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO3
Molecular Weight 275.35
AlogP 2.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 47.56
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A
- 94900 - - 8
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1B
- 94900 - - 8
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1C
- 94900 - - 8
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A
- - - - 5-28
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- - - - 14-27
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- - - - 14-27
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
500-2620 20-5000 10 2-1000 79-79
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
160-220 20-18900 10 2-1000 65-100
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 20-5000 10 2-1000 40-70
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
670-1100 32-17000 10 2-1000 78-80
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 720 - - -
Enzyme Phosphodiesterase Phosphodiesterase 7 Phosphodiesterase 7A
- - - - 3
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 3-9
Secreted protein
- 200-12000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 2 D009103 ClinicalTrials
Huntington Disease 1 D006816 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials
Nervous System Diseases 1 D009422 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 61413-54-5
ChEBI 104872
ChEMBL CHEMBL63
DrugBank DB01954
EPA CompTox DTXSID3044124
FDA SRS K676NL63N7
Guide to Pharmacology 5260
PubChem 5092
SureChEMBL SCHEMBL27930
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