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Compound Detail

CHEMBL1836744

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CCc1nc2c(Nc3ccc(C(=O)N4CCNCC4)c(Cl)c3)nc(C)cn2c1-c1cn[nH]c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1836744
Phase Preclinical
Structure Type MOL
InChI Key BQFCYZQLOSTQMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
3.43
ALogP
7
HBA
3
HBD
103.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN8O
MW 464.96
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
21855335 10.1016/j.bmcl.2011.07.101 Protein-tyrosine kinase 6 2

Data from ChEMBL 36 via Core Engine