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Compound Detail

CHEMBL3326255

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CC(C)Cn1c(=O)n(C)c(=O)c2c1nc(Cc1cccc3ccccc13)c(=O)n2CCCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326255
Phase Preclinical
Structure Type MOL
InChI Key RFIWALSGOQSCAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
2.82
ALogP
8
HBA
1
HBD
99.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O4
MW 476.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Raji
CHEMBL614628
 EC50 5.85 5.85 1420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Raji EC50 = 1420.0 nM 5.85 Growth inhibition of human Raji cells after 96 hrs by MTT assay 25068893

Literature References

PubMed DOI Target Context # Activities
25068893 10.1021/jm500640x Monocarboxylate transporter 1 1
25068893 10.1021/jm500640x Raji 1

Data from ChEMBL 36 via Core Engine