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Compound Detail

CHEMBL88875

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CC1(C)OC[C@@]2(C)C3C[C@H](O)[C@@]4(C)Oc5cc(-c6cccnc6)oc(=O)c5[C@H](O)C4[C@@]3(C)CC[C@@H]2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88875
Phase Preclinical
Structure Type MOL
InChI Key DIIHXVXQXHPHFA-XPBQDZMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
3.84
ALogP
8
HBA
2
HBD
111.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35NO7
MW 497.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.96

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