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Compound Detail

CHEMBL55125

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N=C(N)Nc1ncc(Cl)cc1Br

Basic Information

ChEMBL ID CHEMBL55125
Phase Preclinical
Structure Type MOL
InChI Key ZHTJJARQXVNWMM-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

249.5
MW (Da)
1.80
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6BrClN4
MW 249.50
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.32

Activity Summary

Ki 4 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.32 5.32 4830.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11755350 10.1016/s0960-894x(01)00702-8 Urokinase-type plasminogen activator 1
11755350 10.1016/s0960-894x(01)00702-8 Tissue-type plasminogen activator 1
11755350 10.1016/s0960-894x(01)00702-8 Plasminogen 1
11755349 10.1016/s0960-894x(01)00701-6 Urokinase-type plasminogen activator 1
11755349 10.1016/s0960-894x(01)00701-6 Tissue-type plasminogen activator 1
11755349 10.1016/s0960-894x(01)00701-6 Plasminogen 1

Data from ChEMBL 36 via Core Engine