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Compound Detail

CHEMBL4450572

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NC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450572
Phase Preclinical
Structure Type MOL
InChI Key ARMYQZBDNOLOQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.08
ALogP
5
HBA
3
HBD
124.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5O2
MW 333.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
30891133 10.1021/acsmedchemlett.8b00546 Protein kinase C iota type 1

Data from ChEMBL 36 via Core Engine