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Compound Detail

CHEMBL4165145

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(N)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165145
Phase Preclinical
Structure Type MOL
InChI Key VLCVCCBEIDIIDM-FVWYBJPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

569.8
MW (Da)
7.44
ALogP
4
HBA
2
HBD
106.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H55NO5
MW 569.83
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
28802120 10.1016/j.ejmech.2017.08.012 Cholesteryl ester transfer protein 2

Data from ChEMBL 36 via Core Engine