INCYCLINIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 21G64WZQ4I

Structure
InChI Key ZXFCRFYULUUSDW-OWXODZSWSA-N
Smile NC(=O)C1=C(O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O
InChI
InChI=1S/C19H17NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21-22,24,27H,4-6H2,(H2,20,26)/t8-,9-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17NO7
Molecular Weight 371.35
AlogP 0.58
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 158.15
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 15866-90-7
ChEMBL CHEMBL2104970
DrugBank DB11647
FDA SRS 21G64WZQ4I
PubChem 54678924
SureChEMBL SCHEMBL8070405
ZINC ZINC000001649503
CONTENTS