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Compound Detail

CHEMBL3899576

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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC7=C(OCCS7)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3899576
Phase Preclinical
Structure Type MOL
InChI Key JUODEVDOAQQASK-CZZJYRDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.8
MW (Da)
8.46
ALogP
3
HBA
0
HBD
18.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H50O2S
MW 498.82
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.38

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