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Compound Detail

CHEMBL3774744

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Cn1cc(-c2ccc(Cc3n[nH]c4ccc(N5CCOCC5)cc34)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774744
Phase Preclinical
Structure Type MOL
InChI Key UETJKJCLDAZMNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.39
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O
MW 373.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
26852363 10.1016/j.bmcl.2016.01.062 Liver microsome 2
26852363 10.1016/j.bmcl.2016.01.062 CDK8/Cyclin C 1
26852363 10.1016/j.bmcl.2016.01.062 Cyclin-dependent kinase 8 1
26852363 10.1016/j.bmcl.2016.01.062 ADMET 1
26852363 10.1016/j.bmcl.2016.01.062 No relevant target 1

Data from ChEMBL 36 via Core Engine