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Compound Detail

CHEMBL5440326

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Cc1nnc(NC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440326
Phase Preclinical
Structure Type MOL
InChI Key GUHMLLMHWAODKB-GHMZBOCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
3.02
ALogP
6
HBA
2
HBD
66.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4OS2
MW 334.47
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
35749987 10.1016/j.ejmech.2022.114522 ADMET 2
35749987 10.1016/j.ejmech.2022.114522 LSD1/CoREST complex 1

Data from ChEMBL 36 via Core Engine