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Compound Detail

CHEMBL5177428

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CC(=O)NC(C)(C)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177428
Phase Preclinical
Structure Type MOL
InChI Key FJMWNOKUJAUZEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.07
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O
MW 349.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
36111834 10.1021/acs.jmedchem.2c00697 1-phosphatidylinositol 3-phosphate 5-kinase 2

Data from ChEMBL 36 via Core Engine