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Compound Detail

CHEMBL293098

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N=C(N)Nc1ncc(Br)cc1Cl

Basic Information

ChEMBL ID CHEMBL293098
Phase Preclinical
Structure Type MOL
InChI Key MWRNNVRQWPEZJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
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 -1.63

Activity Summary

Ki 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 2900.0 nM 5.54 In vitro inhibition of HWMT human urokinase Plasminogen activator. 11755349

Literature References

PubMed DOI Target Context # Activities
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