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Compound Detail

CHEMBL4212121

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COc1ccc(NC(=O)C2CCN(c3nc(N)nc4scnc34)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212121
Phase Preclinical
Structure Type MOL
InChI Key AJJRMICGPBBFAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.53
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2S
MW 384.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
29952567 10.1021/acs.jmedchem.8b00521 Phosphatidylinositol 4-kinase beta 1

Data from ChEMBL 36 via Core Engine