CG-200745

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4I8MLM7L2H

Structure
InChI Key AUGCSOFQTDKPSO-RGVLZGJSSA-N
Smile CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12
InChI
InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33N3O4
Molecular Weight 427.55
AlogP 3.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 90.9
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297366
DrugBank DB12259
FDA SRS 4I8MLM7L2H
Guide to Pharmacology 10055
SureChEMBL SCHEMBL16166645
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