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Compound Detail

CHEMBL368221

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C[C@]12CC[C@H](O)[C@@](C)(CO)C1C[C@H](O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368221
Phase Preclinical
Structure Type MOL
InChI Key LGPIKYUOVSTCHV-QEDLKUFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
2.04
ALogP
8
HBA
4
HBD
133.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO7
MW 457.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.93

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