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Compound Detail

CHEMBL375713

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CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)CNC(=O)CN)C21)C3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375713
Phase Preclinical
Structure Type MOL
InChI Key DLNJKFWQIBXAKM-ONUODIMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

817.9
MW (Da)
0.02
ALogP
16
HBA
7
HBD
279.6
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H55N3O15
MW 817.89
Aromatic Rings 1
Heavy Atoms 58
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
17064914 10.1016/j.bmc.2006.09.030 Tubulin 1
17064914 10.1016/j.bmc.2006.09.030 KB 1

Data from ChEMBL 36 via Core Engine