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Compound Detail

CHEMBL5431053

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Cc1ccccc1C(=O)N1CCN(c2ccc3c(N)nncc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431053
Phase Preclinical
Structure Type MOL
InChI Key COJCNHAXOZJCNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.48
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
37120845 10.1021/acs.jmedchem.3c00348 Complement C1s subcomponent 1
37120845 10.1021/acs.jmedchem.3c00348 Complement C1r subcomponent 1
37120845 10.1021/acs.jmedchem.3c00348 Mannan-binding lectin serine protease 2 1
37120845 10.1021/acs.jmedchem.3c00348 Complement factor D 1
37120845 10.1021/acs.jmedchem.3c00348 Prothrombin 1
37120845 10.1021/acs.jmedchem.3c00348 Trypsin 1

Data from ChEMBL 36 via Core Engine