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Compound Detail

CHEMBL26370

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N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2I)cc1

Basic Information

ChEMBL ID CHEMBL26370
Phase Preclinical
Structure Type MOL
InChI Key DXAJHYNCKDFWAU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.4
MW (Da)
3.88
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25IN4O2
MW 480.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.39

Activity Summary

Ki 3 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Suppressor of tumorigenicity 14 protein
CHEMBL3018
Ki 6.72 6.72 191.0 1
Prothrombin
CHEMBL204
Ki 6.1 6.1 796.0 1
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.7 5.7 1980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11311057 10.1021/jm000395x Suppressor of tumorigenicity 14 protein 1
11311057 10.1021/jm000395x Urokinase-type plasminogen activator 1
11311057 10.1021/jm000395x Prothrombin 1

Data from ChEMBL 36 via Core Engine