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Compound Detail

CHEMBL3640113

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CC[C@@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2cn(C)c3cccc(C)c23)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3640113
Phase Preclinical
Structure Type MOL
InChI Key ZZTKOUUAXKROMF-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.83
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.52
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 C23H24N4O4
MW 420.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 8.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Chymase
CHEMBL4068
 IC50 8.13 8.13 7.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Chymase IC50 = 7.4 nM 8.13 In Vitro Assay: In vitro inhibition assay of Chymase. -

Data from ChEMBL 36 via Core Engine