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Compound Detail

CHEMBL46267

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O=S(=O)([O-])c1ccc2c(c1)nc(O)c1cc(S(=O)(=O)[O-])ccc12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46267
Phase Preclinical
Structure Type MOL
InChI Key LNHBBFVZQKARTH-UHFFFAOYSA-L
Parent Compound CHEMBL1205043
Active Moiety CHEMBL1205043
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.59
ALogP
6
HBA
3
HBD
141.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7NNa2O7S2
MW 399.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
11425538 10.1016/s0960-894x(01)00281-5 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine