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Compound Detail

CHEMBL1771402

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CCc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@@]23[C@H](O)[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@@]123
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1771402
Phase Preclinical
Structure Type MOL
InChI Key VJXOWXDNUANFQI-JNFWGSAOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.33
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O5
MW 358.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.38

Literature References

PubMed DOI Target Context # Activities
21470864 10.1016/j.bmcl.2011.03.025 A549 1
21470864 10.1016/j.bmcl.2011.03.025 HT-29 1

Data from ChEMBL 36 via Core Engine