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Compound Detail

CHEMBL2365743

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N=C(N)N/N=C/c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL2365743
Phase Preclinical
Structure Type MOL
InChI Key PDWJALXSRRSUHR-LFYBBSHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.6
MW (Da)
1.16
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9ClN4
MW 196.64
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.85

Activity Summary

Kd 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 4.64 4.64 23000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 23000.0 nM 4.64 Binding affinity to N-terminal MBP-fused C-terminal His6 tagged-PPP1R15A (340 to... 32460492

Literature References

PubMed DOI Target Context # Activities
32460492 10.1021/acs.jmedchem.0c00249 Unchecked 1

Data from ChEMBL 36 via Core Engine