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Compound Detail

CHEMBL3640093

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Cc1cccc2c1c(Cn1c(=O)n(CC(=O)O)c(=O)c3cnccc31)cn2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3640093
Phase Preclinical
Structure Type MOL
InChI Key SFGGOOQUWZLSAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.49
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O4
MW 378.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Chymase
CHEMBL4068
 IC50 8.02 8.02 9.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Chymase IC50 = 9.6 nM 8.02 In Vitro Assay: In vitro inhibition assay of Chymase. -

Data from ChEMBL 36 via Core Engine