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Chemical structure of Vorolanib

GC38380

Vorolanib

Also known as N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Vorolanib (X-82; CM082) is an orally active dual inhibitor of vascular endothelial growth factor receptor (VEGFR) and platelet-derived growth factor receptor (PDGFR) multikinases with IC50 values of 0·052μM and 0·26μM, respectively

ChemicalCAS1013920-15-4MW439.48FormulaC23H26FN5O3
CAS number
1013920-15-4
Molecular weight
439.48
Formula
C23H26FN5O3
Solubility
DMSO： 27 mg/mL (61·44 mM)
InChIKey
KMIOJWCYOHBUJS-HAKPAVFJSA-N
Catalogue number
GC38380
Brand
GLPBIO
Computed properties PubChem CID 59215954 · XLogP 1.6 · TPSA 97.5 Ų · H-bond donors 3
XLogP
1.6
TPSA
97.5 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32

SMILES CC1=C(NC(=C1C(=O)N[C@H]2CCN(C2)C(=O)N(C)C)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O

Computed descriptors from PubChem (CID 59215954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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