CIAFTALAN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V5PUF4VLGY

Structure
InChI Key IEQIEDJGQAUEQZ-UHFFFAOYSA-N
Smile c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChI
InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H18N8
Molecular Weight 514.55
AlogP 6.87
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 108.92
Molecular species NEUTRAL
Aromatic Rings 7.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sezary Syndrome 1 D012751 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials

Cross References

Resources Reference
ChEBI 34921
ChEMBL CHEMBL262101
DrugBank DB12983
EPA CompTox DTXSID9025906
FDA SRS V5PUF4VLGY
KEGG C14077
SureChEMBL SCHEMBL15816
ZINC ZINC000012358610
CONTENTS