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Compound Detail

CHEMBL4175751

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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(=O)N6CCOCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175751
Phase Preclinical
Structure Type MOL
InChI Key HDQPIQDYGWMLJD-RLUKWEQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

639.9
MW (Da)
7.81
ALogP
5
HBA
1
HBD
93.1
PSA (Ų)
0.24
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 C39H61NO6
MW 639.92
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 2.07

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