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Compound Detail

CHEMBL278248

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CCCCc1ccc(Nc2nc3ncnc-3c[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL278248
Phase Preclinical
Structure Type MOL
InChI Key FAYSZBMSWLHYEM-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.39
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5
MW 267.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 4.33
Ki 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase alpha catalytic subunit
CHEMBL1828
Ki 5.3 5.3 5000.0 1
HeLa
CHEMBL399
IC50 4.33 4.33 47000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3806587 10.1021/jm00384a019 HeLa 2
3806587 10.1021/jm00384a019 DNA polymerase alpha catalytic subunit 1

Data from ChEMBL 36 via Core Engine