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Compound Detail

CHEMBL4172459

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Cc1[nH]nc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1Nc1ncnc2[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172459
Phase Preclinical
Structure Type MOL
InChI Key DCEIITGGDDZLFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.73
ALogP
7
HBA
4
HBD
117.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N9O
MW 445.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
29894944 10.1016/j.ejmech.2018.06.010 Cyclin-dependent kinase 2 1
29894944 10.1016/j.ejmech.2018.06.010 Cyclin-dependent kinase 6 1
29894944 10.1016/j.ejmech.2018.06.010 Receptor-type tyrosine-protein kinase FLT3 1
29894944 10.1016/j.ejmech.2018.06.010 MV4-11 1

Data from ChEMBL 36 via Core Engine