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Compound Detail

CHEMBL4164573

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Cc1[nH]nc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1Nc1ncnc2sccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164573
Phase Preclinical
Structure Type MOL
InChI Key PTCOQZBJPMWMGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.47
ALogP
8
HBA
3
HBD
102.1
PSA (Ų)
0.40
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 C23H26N8OS
MW 462.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.21

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