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Compound Detail

CHEMBL459308

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O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OCCO)ccc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459308
Phase Preclinical
Structure Type MOL
InChI Key KMDXLYPMCPQPCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.17
ALogP
5
HBA
3
HBD
83.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O4
MW 428.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
18714982 10.1021/jm8005838 Mitogen-activated protein kinase kinase kinase 9 1
18714982 10.1021/jm8005838 Mitogen-activated protein kinase kinase kinase 11 1

Data from ChEMBL 36 via Core Engine