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Compound Detail

CHEMBL2068943

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C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H](C)C(=O)OC)CC[C@@]3(C)C(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2068943
Phase Preclinical
Structure Type MOL
InChI Key NUVUSGGAFUOLJB-ZJGLBSKSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.8
MW (Da)
6.89
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53NO4
MW 539.80
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.40

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14505668 10.1016/s0960-894x(03)00714-5 Influenza A virus 2
14505668 10.1016/s0960-894x(03)00714-5 Human alphaherpesvirus 1 2

Data from ChEMBL 36 via Core Engine