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Compound Detail

CHEMBL329584

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CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C23)[C@]1(C)COS(=O)(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL329584
Phase Preclinical
Structure Type MOL
InChI Key YKQKTEXFBZEMFY-ZDAZUYGVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

681.8
MW (Da)
4.60
ALogP
12
HBA
1
HBD
168.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H39NO11S
MW 681.76
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness 1.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00451-X Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine