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Compound Detail

CHEMBL5917654

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C[C@H](NC[C@H](N)CCc1ccccc1)C(=O)NCc1cc(Cl)ccc1-n1cnnn1

Basic Information

ChEMBL ID CHEMBL5917654
Phase Preclinical
Structure Type MOL
InChI Key RHUHMSCVOPAVTG-HNAYVOBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
1.87
ALogP
7
HBA
3
HBD
110.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN7O
MW 427.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.73

Activity Summary

Ki 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mannan-binding lectin serine protease 2
CHEMBL4295646
Ki 5.82 5.82 1500.0 1
Unchecked
CHEMBL612545
Ki 4.76 4.76 17500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine