farudodstat   Click here for help

GtoPdb Ligand ID: 12106

Synonyms: ASLAN-003 | ASLAN003 | LAS186323
Compound class: Synthetic organic
Comment: Farudodstat (ASLAN003; ASLAN Pharmaceuticals) is an orally bioactive inhibitor of dihydroorotate dehydrogenase (DHODH) [1]. It was developed for antineoplastic activity in acute myeloid leukemia.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 71.45
Molecular weight 356.1
XLogP 4.93
No. Lipinski's rules broken 0
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Canonical SMILES COc1cccc(c1)c1cc(F)c(c(c1)F)Nc1ncccc1C(=O)O
Isomeric SMILES COc1cccc(c1)c1cc(c(c(c1)F)Nc1c(cccn1)C(=O)O)F
InChI InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
11191 farudodstat
Synonyms Click here for help
ASLAN-003 | ASLAN003 | LAS186323
Database Links Click here for help
BindingDB Ligand 119812
CAS Registry No. 1035688-66-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL2263632
GtoPdb PubChem SID 472319228
PubChem CID 24986824
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UniChem Compound Search for chemical match using the InChIKey OMPATGZMNFWVOH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OMPATGZMNFWVOH-UHFFFAOYSA-N