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Compound Detail

CHEMBL2333203

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CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc2c(c1)OCCCO2

Basic Information

ChEMBL ID CHEMBL2333203
Phase Preclinical
Structure Type MOL
InChI Key KFGIPVXQPLKUSS-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
4.31
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19BrN2O3
MW 415.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.03

Activity Summary

IC50 3 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 4.12 4.12 76383.6 2
B16-F10
CHEMBL612656
IC50 4.01 4.01 96950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23312949 10.1016/j.bmcl.2012.12.010 Telomerase reverse transcriptase 2
23312949 10.1016/j.bmcl.2012.12.010 B16-F10 1

Data from ChEMBL 36 via Core Engine