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Compound Detail

CHEMBL1836745

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Cc1cn2c(-c3cn[nH]c3)c(C3CC3)nc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1836745
Phase Preclinical
Structure Type MOL
InChI Key VJUPBVWRLCXMQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.0
MW (Da)
3.75
ALogP
7
HBA
3
HBD
103.2
PSA (Ų)
0.41
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 C24H25ClN8O
MW 476.97
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.62

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