ASLAN-003

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I58WE41H6X

Structure
InChI Key OMPATGZMNFWVOH-UHFFFAOYSA-N
Smile COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14F2N2O3
Molecular Weight 356.33
AlogP 4.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 71.45
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydroorotate dehydrogenase inhibitor ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 15 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2263632
DrugBank DB16049
FDA SRS I58WE41H6X
PubChem 24986824
SureChEMBL SCHEMBL355081
ZINC ZINC000103278714
CONTENTS