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Compound Detail

CHEMBL1760469

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CCCCOC(=O)[C@@]1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760469
Phase Preclinical
Structure Type MOL
InChI Key OXUBWKOUDYCWIJ-DBYDYKOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

510.8
MW (Da)
8.56
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H54O3
MW 510.80
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.66

Literature References

PubMed DOI Target Context # Activities
21334793 10.1016/j.ejmech.2011.01.061 HL-60 1
21334793 10.1016/j.ejmech.2011.01.061 HeLa 1

Data from ChEMBL 36 via Core Engine