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Compound Detail

CHEMBL5641551

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Cc1ccn2c(C(=O)C(=O)c3ccccc3)c(-c3ccccc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5641551
Phase Preclinical
Structure Type MOL
InChI Key AHNNWZOVCRQAAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.38
ALogP
4
HBA
0
HBD
51.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2O2
MW 340.38
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclic GMP-AMP synthase
CHEMBL4105728
 IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclic GMP-AMP synthase IC50 = 2.1 nM 8.68 Inhibition of cyclic GMP-AMP synthase (unknown origin) 37402343

Literature References

PubMed DOI Target Context # Activities
37402343 10.1016/j.ejmech.2023.115606 Cyclic GMP-AMP synthase 1

Data from ChEMBL 36 via Core Engine