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Compound Detail

CHEMBL336632

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O=C1c2ccccc2-c2ncnc3ccc(NCCNCCO)c1c23

Basic Information

ChEMBL ID CHEMBL336632
Phase Preclinical
Structure Type MOL
InChI Key VMWVJPXQIMZLJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.83
ALogP
6
HBA
3
HBD
87.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O2
MW 334.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.18

Activity Summary

EC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
EC50 6.53 6.53 296.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 EC50 = 296.0 nM 6.53 Concentration of compound required to inhibit the cellular protein biosynthesis ... 8421288

Literature References

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

Data from ChEMBL 36 via Core Engine