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Compound Detail

CHEMBL5192788

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CC(=O)[C@@H]1[C@@H]2[C@H](Oc3ccc(cc3)C[C@]3(O)C[C@]4(C[C@@H](O)[C@](C)(C=O)[C@@H]2C4=O)C(=O)N3)[C@@H]2[C@@H](C)C[C@@H](C)C[C@]21C

Basic Information

ChEMBL ID CHEMBL5192788
Phase Preclinical
Structure Type MOL
InChI Key AKUAGDSHKUBAIZ-ZUGABKLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
2.86
ALogP
7
HBA
3
HBD
130.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H41NO7
MW 551.68
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 2.03

Literature References

PubMed DOI Target Context # Activities
35930265 10.1021/acs.jnatprod.2c00473 Staphylococcus aureus 2
35930265 10.1021/acs.jnatprod.2c00473 Tyrosine-protein phosphatase non-receptor type 6 1
35930265 10.1021/acs.jnatprod.2c00473 Receptor-type tyrosine-protein phosphatase C 1
35930265 10.1021/acs.jnatprod.2c00473 Tyrosine-protein phosphatase non-receptor type 1 1
35930265 10.1021/acs.jnatprod.2c00473 Tyrosine-protein phosphatase non-receptor type 2 1
35930265 10.1021/acs.jnatprod.2c00473 Receptor-type tyrosine-protein phosphatase F 1
35930265 10.1021/acs.jnatprod.2c00473 NCI-H1975 1
35930265 10.1021/acs.jnatprod.2c00473 Bacillus subtilis 1
35930265 10.1021/acs.jnatprod.2c00473 Bacillus amyloliquefaciens 1
35930265 10.1021/acs.jnatprod.2c00473 Escherichia coli 1
35930265 10.1021/acs.jnatprod.2c00473 Streptococcus agalactiae 1

Data from ChEMBL 36 via Core Engine