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Compound Detail

CHEMBL4787817

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Nc1ncc(-c2cnn(C3CCNCC3)c2)c2c1CN(C(=O)Cc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787817
Phase Preclinical
Structure Type MOL
InChI Key NUBVOUZTJJUPHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.58
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N6O
MW 416.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
29636220 10.1016/j.bmcl.2018.03.032 Mitogen-activated protein kinase kinase kinase kinase 3 2

Data from ChEMBL 36 via Core Engine