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Compound Detail

CHEMBL2229170

MOMBASOL
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C=C1[C@@H]([C@@]2(C)C=CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@]132
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2229170
Name MOMBASOL
Phase Preclinical
Structure Type MOL
InChI Key YRFRXISQCYTJMQ-QMKHVEKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

686.8
MW (Da)
3.58
ALogP
13
HBA
1
HBD
177.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H46O13
MW 686.75
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
25798528 10.1021/np501057f Tobacco mosaic virus 4
22500574 10.1021/jf205362d Tobacco mosaic virus 3
25798528 10.1021/np501057f HL-60 1
25798528 10.1021/np501057f SMMC-7721 1
25798528 10.1021/np501057f A549 1
25798528 10.1021/np501057f MCF7 1
25798528 10.1021/np501057f SW480 1

Data from ChEMBL 36 via Core Engine