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Compound Detail

CHEMBL444109

GAMBOGIC AMIDE
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CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4CC1C(C)(C)O[C@@]2(C/C=C(/C)C(N)=O)C4=O)C3=O

Basic Information

ChEMBL ID CHEMBL444109
Name GAMBOGIC AMIDE
Phase Preclinical
Structure Type MOL
InChI Key NFVXKLYWFCNBCO-JDDSCDDDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

627.8
MW (Da)
6.64
ALogP
7
HBA
2
HBD
125.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H45NO7
MW 627.78
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 3.48

Activity Summary

EC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 5.0 nM 8.3 Suppression of staurosporine-initiated apoptosis in human T17 cells at 0.5 uM 17911251

Literature References

PubMed DOI Target Context # Activities
17911251 10.1073/pnas.0706662104 High affinity nerve growth factor receptor 9
17911251 10.1073/pnas.0706662104 Unchecked 8
17911251 10.1073/pnas.0706662104 PC-12 3
17911251 10.1073/pnas.0706662104 BDNF/NT-3 growth factors receptor 2
17911251 10.1073/pnas.0706662104 NT-3 growth factor receptor 2
17911251 10.1073/pnas.0706662104 NON-PROTEIN TARGET 2
17911251 10.1073/pnas.0706662104 Mitogen-activated protein kinase 3 2
17911251 10.1073/pnas.0706662104 Mitogen-activated protein kinase 1 2
17911251 10.1073/pnas.0706662104 Mus musculus 2
17911251 10.1073/pnas.0706662104 Tumor necrosis factor receptor superfamily member 16 1
17911251 10.1073/pnas.0706662104 Receptor tyrosine-protein kinase erbB-3 1
17911251 10.1073/pnas.0706662104 Epidermal growth factor receptor 1
17911251 10.1073/pnas.0706662104 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine