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Compound Detail

CHEMBL4211423

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N=C(N)NC(=O)c1nc(-c2cnc(N)nc2)c(N2CCCCCC2)nc1N

Basic Information

ChEMBL ID CHEMBL4211423
Phase Preclinical
Structure Type MOL
InChI Key SRTYWTZNPXFRQK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
0.10
ALogP
9
HBA
5
HBD
185.8
PSA (Ų)
0.37
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 C16H22N10O
MW 370.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.58

Activity Summary

Ki 2 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 7.68 7.68 21.0 1
Urokinase-type plasminogen activator
CHEMBL1075311
Ki 5.56 5.56 2768.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30130401 10.1021/acs.jmedchem.8b00838 Urokinase-type plasminogen activator 1
34898192 10.1021/acs.jmedchem.1c01423 Urokinase-type plasminogen activator 1
34898192 10.1021/acs.jmedchem.1c01423 Unchecked 1

Data from ChEMBL 36 via Core Engine