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Compound Detail

CHEMBL4211470

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Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211470
Phase Preclinical
Structure Type MOL
InChI Key CUOPUVSNLHYIOS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
2.38
ALogP
8
HBA
1
HBD
108.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O4
MW 431.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.96

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30212625 10.1021/acs.jmedchem.8b01106 Kallikrein-6 2
30212625 10.1021/acs.jmedchem.8b01106 Trypsin 1
30212625 10.1021/acs.jmedchem.8b01106 Prothrombin 1
30212625 10.1021/acs.jmedchem.8b01106 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine