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Compound Detail

CHEMBL5624770

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Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4cnc[nH]4)cc2)[C@@H]3C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624770
Phase Preclinical
Structure Type MOL
InChI Key JIUNOZTXJPGHEP-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.32
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N7OS
MW 405.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
37247507 10.1016/j.ejmech.2023.115486 Neuromedin-K receptor 2

Data from ChEMBL 36 via Core Engine