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Compound Detail

CHEMBL4086011

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CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3nccc4ccccc34)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086011
Phase Preclinical
Structure Type MOL
InChI Key XSKZFAYMSWIRNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.70
ALogP
6
HBA
3
HBD
89.2
PSA (Ų)
0.42
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 C25H27N7O
MW 441.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
29357250 10.1021/acs.jmedchem.7b01261 MV4-11 2
29357250 10.1021/acs.jmedchem.7b01261 Receptor-type tyrosine-protein kinase FLT3 2
29357250 10.1021/acs.jmedchem.7b01261 CDK2/Cyclin A1 2

Data from ChEMBL 36 via Core Engine