Structure

InChI Key JFIWEPHGRUDAJN-DYUFWOLASA-N
Smile C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
InChI
InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13N3O5
Molecular Weight 267.24
AlogP -2.56
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 130.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA-directed RNA polymerase III subunit RPC1 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 180300-43-0
ChEMBL CHEMBL573352
DrugBank DB06656
FDA SRS Y3O05I09ZK
PubChem 176885
SureChEMBL SCHEMBL543763
ZINC ZINC000003813525