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Compound Detail

CHEMBL1208431

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CCOP(=O)(Cc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208431
Phase Preclinical
Structure Type MOL
InChI Key KGZAQSFSNUUZRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.5
MW (Da)
4.80
ALogP
9
HBA
3
HBD
162.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N2O8PS
MW 544.52
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine