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Compound Detail

CHEMBL288216

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CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C

Basic Information

ChEMBL ID CHEMBL288216
Phase Preclinical
Structure Type MOL
InChI Key ZQHDNOPMHPQULD-XPTBBACVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

753.4
MW (Da)
4.88
ALogP
11
HBA
2
HBD
144.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H61ClN2O10
MW 753.37
Aromatic Rings 1
Heavy Atoms 52
NP-Likeness 1.16

Literature References

PubMed DOI Target Context # Activities
15006412 10.1016/j.bmcl.2003.12.059 Gonadotropin-releasing hormone receptor 1
15006412 10.1016/j.bmcl.2003.12.059 Staphylococcus aureus 1
15006412 10.1016/j.bmcl.2003.12.059 Staphylococcus epidermidis 1
15006412 10.1016/j.bmcl.2003.12.059 Micrococcus luteus 1
15006412 10.1016/j.bmcl.2003.12.059 Enterococcus faecium 1
15006412 10.1016/j.bmcl.2003.12.059 Streptococcus agalactiae 1

Data from ChEMBL 36 via Core Engine