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Compound Detail

CHEMBL4167262

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COc1ccc(NN)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167262
Phase Preclinical
Structure Type MOL
InChI Key FQHCPFMTXFJZJS-UHFFFAOYSA-N
Parent Compound CHEMBL4302998
Active Moiety CHEMBL4302998
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

138.2
MW (Da)
0.98
ALogP
3
HBA
2
HBD
47.3
PSA (Ų)
0.47
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 C7H11ClN2O
MW 174.63
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.96

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28527406 10.1016/j.ejmech.2017.05.015 Histone acetyltransferase KAT8 1

Data from ChEMBL 36 via Core Engine