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Compound Detail

CHEMBL4642223

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C[C@@H]1CN(c2snc3cc(C#Cc4ccccc4)cnc23)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642223
Phase Preclinical
Structure Type MOL
InChI Key ZQAVAEHRXPYPJG-GASCZTMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
3.70
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3OS
MW 349.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
31757682 10.1016/j.bmc.2019.115188 Cyclin-G-associated kinase 1

Data from ChEMBL 36 via Core Engine