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Compound Detail

CHEMBL4062202

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CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(C(=O)NCCCN)ccc43)c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062202
Phase Preclinical
Structure Type MOL
InChI Key BVOQGWISHQHEIZ-KTMFPKCZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

581.7
MW (Da)
2.91
ALogP
7
HBA
4
HBD
123.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H39N7O3
MW 581.72
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
28351607 10.1016/j.bmc.2017.03.018 Maternal embryonic leucine zipper kinase 2

Data from ChEMBL 36 via Core Engine