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Compound Detail

CHEMBL130776

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NCCCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3

Basic Information

ChEMBL ID CHEMBL130776
Phase Preclinical
Structure Type MOL
InChI Key BMDCIKHLBODTGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.60
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.20

Activity Summary

EC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
EC50 6.26 6.26 546.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 EC50 = 546.0 nM 6.26 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