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Compound Detail

CHEMBL3910523

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COC(=O)C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3910523
Phase Preclinical
Structure Type MOL
InChI Key SVWGQADPJAOQRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
4.60
ALogP
7
HBA
0
HBD
73.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28FN5O2
MW 485.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 10.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal Pro-X carboxypeptidase
CHEMBL2335
 IC50 10.46 10.46 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal Pro-X carboxypeptidase IC50 = 0.035 nM 10.46 Enzyme Activity Assay: The assay was run in a 384-well microliter plate at 37° C... -

Data from ChEMBL 36 via Core Engine