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Compound Detail

CHEMBL2017877

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CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=O)c5ccccc5)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017877
Phase Preclinical
Structure Type MOL
InChI Key SMDXTTQKCKZIII-UAHXHWNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

766.9
MW (Da)
7.23
ALogP
10
HBA
1
HBD
150.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C46H54O10
MW 766.93
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness 2.06

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2
33269591 10.1021/acs.jnatprod.0c00364 Unchecked 1

Data from ChEMBL 36 via Core Engine