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Compound Detail

CHEMBL398507

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N#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(CC3CCCCC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398507
Phase Preclinical
Structure Type MOL
InChI Key KEEIQIFZIITAFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
4.54
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN6
MW 380.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
18173229 10.1021/jm070760l Cathepsin B-like cysteine protease 1
18173229 10.1021/jm070760l Trypanosoma brucei 1
18173229 10.1021/jm070760l Procathepsin L 1
18173229 10.1021/jm070760l Cathepsin B 1

Data from ChEMBL 36 via Core Engine