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Compound Detail

CHEMBL1206007

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COc1cc(S(=O)(=O)O)c(C)cc1N=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206007
Phase Preclinical
Structure Type MOL
InChI Key UQWIHFJXDRNUDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
3.77
ALogP
8
HBA
3
HBD
162.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O8S2
MW 452.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine