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Compound Detail

CHEMBL4210813

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N=C(N)NC(=O)c1nc(-c2cnn(CCN3CCOCC3)c2)c(N2CCCCCC2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210813
Phase Preclinical
Structure Type MOL
InChI Key ZXDZODOYULHGRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
0.26
ALogP
10
HBA
4
HBD
164.3
PSA (Ų)
0.35
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 C21H32N10O2
MW 456.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.31

Activity Summary

Ki 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 Ki 6.18 6.18 658.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 658.0 nM 6.18 Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured ove... 30130401

Literature References

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

Data from ChEMBL 36 via Core Engine