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Compound Detail

CHEMBL4783396

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CC(=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783396
Phase Preclinical
Structure Type MOL
InChI Key WHGVJUSKSLZNRM-UAKRLBJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

474.7
MW (Da)
5.07
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46O5
MW 474.68
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.03

Literature References

PubMed DOI Target Context # Activities
32956968 10.1016/j.ejmech.2020.112815 A-375 1
32956968 10.1016/j.ejmech.2020.112815 HT-29 1
32956968 10.1016/j.ejmech.2020.112815 MCF7 1
32956968 10.1016/j.ejmech.2020.112815 A2780 1
32956968 10.1016/j.ejmech.2020.112815 FaDu 1
32956968 10.1016/j.ejmech.2020.112815 NIH3T3 1

Data from ChEMBL 36 via Core Engine