olinciguat   Click here for help

GtoPdb Ligand ID: 10213

Synonyms: IW-1701 | IW1701
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: olinciguat (IW-1701) is an orally bioavailable stimulator of (NO)-sensitive soluble guanylyl cyclase (sGC) [1] that is being developed by Ironwood Pharmaceuticals as a potential sickle cell disease therapeutic [2]. It acts as a cGMP amplifying agent.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 144.98
Molecular weight 509.12
XLogP 2.84
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)C(C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O
Isomeric SMILES NC(=O)[C@@](C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O
InChI InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10683 olinciguat
Synonyms Click here for help
IW-1701 | IW1701
Database Links Click here for help
CAS Registry No. 1628732-62-6 (source: PubChem)
GtoPdb PubChem SID 381744895
PubChem CID 90445883
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