Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7KKS9R192F

Structure

InChI Key UIVFUQKYVFCEKJ-OPTOVBNMSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
InChI
InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25N3O5
Molecular Weight 447.49
AlogP 3.23
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 103.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 292618-32-7
ChEMBL CHEMBL113051
DrugBank DB06721
EPA CompTox DTXSID0057702
FDA SRS 7KKS9R192F
PubChem 9577124
SureChEMBL SCHEMBL130586
ZINC ZINC000003993519