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Compound Detail

CHEMBL4171609

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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)CCC(N)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171609
Phase Preclinical
Structure Type MOL
InChI Key YELCXFREHJWZOX-VGBCDPHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.8
MW (Da)
7.05
ALogP
4
HBA
2
HBD
106.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53NO5
MW 555.80
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.74

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