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Compound Detail

CHEMBL1760115

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CC(C)(C)c1ccc(NC(=O)/C=C/[C@H]2C[C@@H](O)[C@@H](O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760115
Phase Preclinical
Structure Type MOL
InChI Key YRHFVXAOXCLHRN-IFHVYBPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.61
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25NO3
MW 303.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.13

Activity Summary

EC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
 EC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila EC50 = 4400.0 nM 5.36 Ex vivo immunosuppressive activity in Drosophila larvae assessed as inhibition o... 21334120

Literature References

PubMed DOI Target Context # Activities
21334120 10.1016/j.ejmech.2011.01.049 Drosophila 1
21334120 10.1016/j.ejmech.2011.01.049 ADMET 1
21334120 10.1016/j.ejmech.2011.01.049 HUVEC 1

Data from ChEMBL 36 via Core Engine