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Compound Detail

CHEMBL2017891

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CC(=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@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017891
Phase Preclinical
Structure Type MOL
InChI Key KIMBSHRNROXMJP-CJXCJGAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

612.8
MW (Da)
6.39
ALogP
7
HBA
1
HBD
107.0
PSA (Ų)
0.31
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 C38H44O7
MW 612.76
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 1.94

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2

Data from ChEMBL 36 via Core Engine