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Compound Detail

CHEMBL431209

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CCCC(N)C(=O)OC[C@@]1(C)C2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C3[C@@]2(C)CC[C@@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431209
Phase Preclinical
Structure Type MOL
InChI Key RHCZUNJQRAUXEM-OCQWCAOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

640.7
MW (Da)
3.86
ALogP
12
HBA
2
HBD
177.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44N2O10
MW 640.73
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 1.78

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