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Compound Detail

CHEMBL4215026

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C=C1CC[C@H]2[C@@H](c3c(C)c(O)c4c(c31)C(=O)[C@H](C)C4)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215026
Phase Preclinical
Structure Type MOL
InChI Key BMHPRIPRPDSKRK-PGQWDYDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.62
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O2
MW 296.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.51

Literature References

PubMed DOI Target Context # Activities
30106289 10.1021/acs.jnatprod.7b01036 RKO 1
30106289 10.1021/acs.jnatprod.7b01036 LoVo 1

Data from ChEMBL 36 via Core Engine