IACS-9439   Click here for help

GtoPdb Ligand ID: 11192

Synonyms: compound 1 [PMID: 32787110]
Compound class: Synthetic organic
Comment: IACS-9439 is a potent, highly selective, and orally bioavailable CSF1R inhibitor [1]. It was developed to reduce the number of immune-suppressive tumour-associated macrophages in the tumour microenvironment, as an approach to promote tumour growth inhibition.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 147.48
Molecular weight 515.15
XLogP 3.39
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl
Isomeric SMILES COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl
InChI InChI=1S/C23H26ClN7O3S/c1-31-11-14(10-26-31)28-22-25-8-7-13(27-22)12-34-17-9-18(33-2)20-21(19(17)24)35-23(30-20)29-15-5-3-4-6-16(15)32/h7-11,15-16,32H,3-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t15-,16-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 1 [PMID: 32787110]
Database Links Click here for help
GtoPdb PubChem SID 434122252
PubChem CID 154025209
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