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Compound Detail

CHEMBL2165734

ENFUMAFUNGIN
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CC(=O)O[C@@H]1C[C@]23C4=CC[C@@]5(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]5(C)[C@H]4CC[C@H]2[C@@](C)(COC3O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL2165734
Name ENFUMAFUNGIN
Phase Preclinical
Structure Type MOL
InChI Key IAOFPTKYKOAKGZ-CRWQHXLTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

708.9
MW (Da)
3.01
ALogP
11
HBA
6
HBD
192.4
PSA (Ų)
0.13
QED
3
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 C38H60O12
MW 708.89
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness 2.78

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of candida albicans beta-(1,3)-glucan synthase assessed as decrease i... -

Literature References

PubMed DOI Target Context # Activities
32692166 10.1021/acs.jmedchem.0c00748 Candida albicans 3
37853717 10.1021/acs.jnatprod.3c00562 Cryptococcus neoformans 2
32692166 10.1021/acs.jmedchem.0c00748 Cryptococcus neoformans 2
37853717 10.1021/acs.jnatprod.3c00562 [Candida] auris 2
32692166 10.1021/acs.jmedchem.0c00748 Nakaseomyces glabratus 2
32692166 10.1021/acs.jmedchem.0c00748 Meyerozyma guilliermondii 2
37853717 10.1021/acs.jnatprod.3c00562 Candida albicans 2
37853717 10.1021/acs.jnatprod.3c00562 Pichia kudriavzevii 1
22672801 10.1016/j.bmcl.2012.05.031 Candida albicans 1
37853717 10.1021/acs.jnatprod.3c00562 Candida parapsilosis 1
37853717 10.1021/acs.jnatprod.3c00562 Nakaseomyces glabratus 1
37853717 10.1021/acs.jnatprod.3c00562 Candida tropicalis 1
32692166 10.1021/acs.jmedchem.0c00748 Aspergillus fumigatus 1
32692166 10.1021/acs.jmedchem.0c00748 Unchecked 1
32692166 10.1021/acs.jmedchem.0c00748 Aspergillus flavus 1
- 10.1039/C4MD00086B Candida albicans 1
- 10.1039/C4MD00086B Unchecked 1
22672801 10.1016/j.bmcl.2012.05.031 Unchecked 1

Data from ChEMBL 36 via Core Engine