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Compound Detail

CHEMBL1689441

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CN1CCN(c2cc3c4c(ccc5c6c(N7CCN(C)CC7)cc7c8c(ccc(c2c45)c86)C(=O)N(CCN2CCCCC2)C7=O)C(=O)N(CCN2CCCCC2)C3=O)CC1

Basic Information

ChEMBL ID CHEMBL1689441
Phase Preclinical
Structure Type MOL
InChI Key OZNOWHOACNHVAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

809.0
MW (Da)
5.40
ALogP
10
HBA
0
HBD
94.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H56N8O4
MW 809.03
Aromatic Rings 5
Heavy Atoms 60
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 10000.0 nM 5.0 Inhibition of human Telomerase activity in cell free system by TRAP assay 21280624

Literature References

PubMed DOI Target Context # Activities
21280624 10.1021/jm1013665 BJ 19
21280624 10.1021/jm1013665 Nucleic Acid 12
21280624 10.1021/jm1013665 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine