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Compound Detail

CHEMBL5201038

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Nc1ncnc2c1c(-c1ccsc1)cn2[C@H]1CC[C@@H](N)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201038
Phase Preclinical
Structure Type MOL
InChI Key JGAPJWDCMZIMDB-TXEJJXNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.18
ALogP
6
HBA
2
HBD
82.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N5S
MW 313.43
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.13

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