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Compound Detail

CHEMBL1078441

R-(+)-MARMIN
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C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078441
Name R-(+)-MARMIN
Phase Preclinical
Structure Type MOL
InChI Key QYYKWTUUCOTGNS-JIIJFUIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.03
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H24O5
MW 332.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
23434131 10.1016/j.bmc.2013.01.048 Mitochondrial complex I (NADH dehydrogenase) 2
19689106 10.1021/np900266m Cytochrome P450 3A4 1
23434131 10.1016/j.bmc.2013.01.048 Unchecked 1
23434131 10.1016/j.bmc.2013.01.048 MDA-MB-231 1
23434131 10.1016/j.bmc.2013.01.048 T47D 1

Data from ChEMBL 36 via Core Engine