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Compound Detail

CHEMBL1760479

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CCCCOC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC(C#N)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760479
Phase Preclinical
Structure Type MOL
InChI Key OHHOEEZYUJDZAL-OZSYYWPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

537.8
MW (Da)
8.10
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.22
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 C35H55NO3
MW 537.83
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.35

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