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Compound Detail

CHEMBL5069765

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O=C1NC(=O)C(CNC(=O)c2cnn(-c3ccccc3)n2)(c2ccncc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5069765
Phase Preclinical
Structure Type MOL
InChI Key CVZMISHAUUIHFG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
0.13
ALogP
7
HBA
3
HBD
130.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N7O3
MW 377.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.35

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.7 6.625 20.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 20.0 nM 7.7 Inhibition of recombinant rat/human ADAMTS7 hybrid using HiLyteFluor-488 DELSSMV... -
Unchecked IC50 = 2800.0 nM 5.55 Inhibition of recombinant rat/human ADAMTS12 hybrid using HiLyteFluor-488 DELSSM... -

Data from ChEMBL 36 via Core Engine