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Compound Detail

CHEMBL222882

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N#Cc1c(O)nc2ccc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222882
Phase Preclinical
Structure Type MOL
InChI Key KBAQVTZCCGAGHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
4.68
ALogP
6
HBA
4
HBD
109.7
PSA (Ų)
0.38
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 C20H14ClFN6O
MW 408.82
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
16973359 10.1016/j.bmcl.2006.08.102 Mitogen-activated protein kinase kinase kinase 8 1

Data from ChEMBL 36 via Core Engine