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Compound Detail

CHEMBL2024625

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C=CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024625
Phase Preclinical
Structure Type MOL
InChI Key ZNPZJSBOGJRGAX-IREBYWSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

510.8
MW (Da)
7.06
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H50O4
MW 510.76
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.82

Literature References

PubMed DOI Target Context # Activities
22520261 10.1016/j.bmcl.2012.03.081 Hepatitis B virus 3
22520261 10.1016/j.bmcl.2012.03.081 Unchecked 3
22520261 10.1016/j.bmcl.2012.03.081 ADMET 1

Data from ChEMBL 36 via Core Engine