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Compound Detail

CHEMBL133464

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NCCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3

Basic Information

ChEMBL ID CHEMBL133464
Phase Preclinical
Structure Type MOL
InChI Key DSMHUADNKPPUNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.21
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.60
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 C17H14N4O
MW 290.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.29

Activity Summary

EC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
EC50 6.42 6.42 379.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 EC50 = 379.0 nM 6.42 Concentration of compound required to inhibit the cellular protein biosynthesis ... 8421288

Literature References

PubMed DOI Target Context # Activities
8421288 10.1021/jm00053a005 Unchecked 2
8421288 10.1021/jm00053a005 P388 2
8421288 10.1021/jm00053a005 ADMET 2
8421288 10.1021/jm00053a005 L1210 1
8421288 10.1021/jm00053a005 NADH-ubiquinone oxidoreductase chain 4 1

Data from ChEMBL 36 via Core Engine