seralutinib   Click here for help

GtoPdb Ligand ID: 10618

Synonyms: GB-002 | Gb002 | PK-10571 | PK10571 | structure 2a [WO2014110200A1]
Compound class: Synthetic organic
Comment: Seralutinib (PK10571; Structure 2a; GB002) is a small molecule inhibitor of platelet-derived growth factor receptors A and B (PDGFRα, PDGFRβ; receptor tyrosine kinases) [1]. It was developed to target the PDGF pathway as a therepuetic modality for the treatment of pulmonary arterial hypertension (PAH). PK10571 is being progressed for PAH by Gossamer Bio in collaboration with Pulmokine. Inhibition of PDGFRα/β is predicted to stop and/or reverse the vascular remodeling associated with PAH and thereby improve cardiopulmonary hemodynamics in these patients.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 98.26
Molecular weight 469.21
XLogP 3.66
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1OC)c1cncc(n1)NC(c1cccc(c1)NC(=O)c1cncc(c1)C)C
Isomeric SMILES COc1cc(ccc1OC)c1cncc(n1)N[C@H](c1cccc(c1)NC(=O)c1cncc(c1)C)C
InChI InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/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
11243 seralutinib
Synonyms Click here for help
GB-002 | Gb002 | PK-10571 | PK10571 | structure 2a [WO2014110200A1]
Database Links Click here for help
CAS Registry No. 1619931-27-9 (source: WHO INN record)
GtoPdb PubChem SID 404859065
PubChem CID 91663352
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