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Compound Detail

CHEMBL452242

GLUTINOL
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CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452242
Name GLUTINOL
Phase Preclinical
Structure Type MOL
InChI Key HFSACQSILLSUII-ISSAZSKYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

426.7
MW (Da)
8.17
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.39
QED
1
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 C30H50O
MW 426.73
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 3.15

Activity Summary

EC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.89 4.89 12900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 12900.0 nM 4.89 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-... 27420919

Literature References

PubMed DOI Target Context # Activities
12880314 10.1021/np020356j NON-PROTEIN TARGET 5
19447618 10.1016/j.bmcl.2009.04.129 RAW264.7 2
32644811 10.1021/acs.jnatprod.9b01045 Streptococcus sobrinus 2
32644811 10.1021/acs.jnatprod.9b01045 Porphyromonas gingivalis 2
20153184 10.1016/j.bmcl.2010.01.096 SK-OV-3 1
39101318 10.1021/acs.jnatprod.4c00566 Fusarium graminearum 1
39101318 10.1021/acs.jnatprod.4c00566 Fusarium tucumaniae 1
39101318 10.1021/acs.jnatprod.4c00566 Fusarium solani 1
27420919 10.1021/acs.jnatprod.6b00204 NON-PROTEIN TARGET 1
20153184 10.1016/j.bmcl.2010.01.096 RAW264.7 1
20153184 10.1016/j.bmcl.2010.01.096 HT-29 1
20153184 10.1016/j.bmcl.2010.01.096 A549 1
18926710 10.1016/j.bmc.2008.09.021 Nitric oxide synthase, inducible 1
20153184 10.1016/j.bmcl.2010.01.096 HL-60 1
19447618 10.1016/j.bmcl.2009.04.129 HeLa 1
19447618 10.1016/j.bmcl.2009.04.129 MCF7 1
19447618 10.1016/j.bmcl.2009.04.129 SK-MEL-1 1
12880314 10.1021/np020356j NUGC-4 1
18926710 10.1016/j.bmc.2008.09.021 Unchecked 1

Data from ChEMBL 36 via Core Engine