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Compound Detail

CHEMBL5172451

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CC(C)(C)c1ccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172451
Phase Preclinical
Structure Type MOL
InChI Key GXTVVHRQYQIXKM-CALCHBBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.42
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5
MW 363.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
35709396 10.1021/acs.jmedchem.2c00604 Receptor-interacting serine/threonine-protein kinase 2 1
35709396 10.1021/acs.jmedchem.2c00604 Receptor-interacting serine/threonine-protein kinase 1 1
35709396 10.1021/acs.jmedchem.2c00604 Unchecked 1

Data from ChEMBL 36 via Core Engine