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Compound Detail

CHEMBL2159980

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COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4sccc4P(=O)(O)O)C[C@@H]3C(=O)O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2159980
Phase Preclinical
Structure Type MOL
InChI Key IHOOUUMJNNEBDD-BUVFEPMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

566.6
MW (Da)
3.74
ALogP
8
HBA
4
HBD
140.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N2O7PS2
MW 566.64
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
21443219 10.1021/jm2002124 Staphylococcus aureus 2
21443219 10.1021/jm2002124 HEp-2 1
21443219 10.1021/jm2002124 Unchecked 1
21443219 10.1021/jm2002124 DNA gyrase 1

Data from ChEMBL 36 via Core Engine