TAS-109

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 00M634HD2V

Structure
InChI Key DCYBPMFXJCWXNB-JWIUVKOKSA-N
Smile N#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChI
InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N4O4
Molecular Weight 252.23
AlogP -1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 134.39
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 2 D015179 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 135598-68-4
ChEBI 145435
ChEMBL CHEMBL337450
DrugBank DB11667
EPA CompTox DTXSID30159474
FDA SRS 00M634HD2V
SureChEMBL SCHEMBL1006241
ZINC ZINC000003806784
CONTENTS