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Compound Detail

CHEMBL4471906

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Cc1n[nH]cc1-c1cc2nc([C@@H]3CCCCN3)[nH]c(=O)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471906
Phase Preclinical
Structure Type MOL
InChI Key WLKJMISWXHORCR-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.50
ALogP
5
HBA
3
HBD
86.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5OS
MW 315.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
31895562 10.1021/acs.jmedchem.9b01427 No relevant target 1

Data from ChEMBL 36 via Core Engine