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Compound Detail

CHEMBL605922

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Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2C1C=CC=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605922
Phase Preclinical
Structure Type MOL
InChI Key PFDRBOSPJOVHCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
6.11
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18N6S
MW 446.54
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
19926477 10.1016/j.bmcl.2009.10.103 MAP kinase-activated protein kinase 2 1

Data from ChEMBL 36 via Core Engine