AVN-944

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I3NPL1V48Q

Structure
InChI Key GYCPCOJTCINIFZ-OXJNMPFZSA-N
Smile CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
InChI
InChI=1S/C25H27N5O5/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23/h5-9,12-16,20H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31)/t16-,20+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N5O5
Molecular Weight 477.52
AlogP 5.47
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 138.51
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor ClinicalTrials PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 2 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3349001
EPA CompTox DTXSID80183921
FDA SRS I3NPL1V48Q
PubChem 9918559
SureChEMBL SCHEMBL19784823
ZINC ZINC000003963015
CONTENTS