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Compound Detail

CHEMBL4528740

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Cc1cccc(CN2Cc3ccc(-c4ccnc(Nc5ccnn5C)n4)cc3C2=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4528740
Phase Preclinical
Structure Type MOL
InChI Key ROTZVNUCYACLSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.48
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O
MW 411.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
30605831 10.1016/j.ejmech.2018.12.040 Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine