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Compound Detail

CHEMBL1531266

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Nn1c(-c2ccccc2)nnc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL1531266
Phase Preclinical
Structure Type MOL
InChI Key DAZAXBYJPXKJJL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.33
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4
MW 236.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.05

Activity Summary

Ki 2 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin H
CHEMBL3309115
Ki 4.04 4.04 90100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin H Ki = 90100.0 nM 4.04 Non-competitive inhibition of cathepsin H in goat liver using Leu-betaNA as subs... 24642566

Literature References

PubMed DOI Target Context # Activities
24642566 10.1016/j.ejmech.2014.03.007 Unchecked 2
24642566 10.1016/j.ejmech.2014.03.007 Cathepsin B 2
24642566 10.1016/j.ejmech.2014.03.007 Cathepsin H 2

Data from ChEMBL 36 via Core Engine