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Compound Detail

CHEMBL396654

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C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@@H]7OC(=O)[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396654
Phase Preclinical
Structure Type MOL
InChI Key RSBDYXXTRKSSJW-HCFFHSGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

602.9
MW (Da)
5.62
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H58O7
MW 602.85
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 3.03

Literature References

PubMed DOI Target Context # Activities
17614290 10.1016/j.bmc.2007.06.033 A549 1
17614290 10.1016/j.bmc.2007.06.033 DLD-1 1
17614290 10.1016/j.bmc.2007.06.033 ADMET 1

Data from ChEMBL 36 via Core Engine