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Compound Detail

CHEMBL2151602

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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2151602
Phase Preclinical
Structure Type MOL
InChI Key OJLLSBNNLNUCKE-BMJPTYCDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

584.8
MW (Da)
6.92
ALogP
6
HBA
1
HBD
107.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H52O7
MW 584.79
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
21959232 10.1016/j.ejmech.2011.08.038 NON-PROTEIN TARGET 3
21959232 10.1016/j.ejmech.2011.08.038 A549 1
21959232 10.1016/j.ejmech.2011.08.038 DLD-1 1
21959232 10.1016/j.ejmech.2011.08.038 8505C 1
26343825 10.1016/j.bmcl.2015.08.076 MCF7 1
26343825 10.1016/j.bmcl.2015.08.076 HeLa 1
26343825 10.1016/j.bmcl.2015.08.076 A549 1

Data from ChEMBL 36 via Core Engine