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Compound Detail

CHEMBL5722997

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Nc1nc(Nc2ccc(Oc3ccnc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5722997
Phase Preclinical
Structure Type MOL
InChI Key WTCOYQHDYBLHHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
4.07
ALogP
8
HBA
3
HBD
127.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN8O
MW 414.40
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
18973168 10.1002/cmdc.200800211 Rho-associated protein kinase 2 1
18973168 10.1002/cmdc.200800211 Saphenous artery 1

Data from ChEMBL 36 via Core Engine