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Compound Detail

CHEMBL3959683

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CC(=O)N[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3959683
Phase Preclinical
Structure Type MOL
InChI Key TZZDLOUSECHHES-BRDCXSDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

541.8
MW (Da)
6.92
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.39
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 C34H55NO4
MW 541.82
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.59

Literature References

PubMed DOI Target Context # Activities
27236068 10.1016/j.ejmech.2016.05.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine