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Compound Detail

CHEMBL4551810

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CCCC/C=C\CCCCCCCc1cc(O)cc(O)c1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551810
Phase Preclinical
Structure Type MOL
InChI Key PVCOJNPKQYNQCB-SREVYHEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.5
MW (Da)
5.93
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H32O3
MW 332.48
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.47

Literature References

PubMed DOI Target Context # Activities
27008174 10.1021/acs.jnatprod.5b00915 Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 1
27008174 10.1021/acs.jnatprod.5b00915 Bcl-xL/BAK 1

Data from ChEMBL 36 via Core Engine