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Compound Detail

CHEMBL2159977

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

Basic Information

ChEMBL ID CHEMBL2159977
Phase Preclinical
Structure Type MOL
InChI Key DQWDYFAGOBNWAK-AEAGWUPHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

650.8
MW (Da)
6.60
ALogP
10
HBA
2
HBD
118.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43N2O7PS2
MW 650.80
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.35

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