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Compound Detail

CHEMBL5421844

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O=C(Nc1ccccc1)c1ccccc1[C@@H]1C[C@H]1NCC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421844
Phase Preclinical
Structure Type MOL
InChI Key QKNTXRISJDYQTK-RBUKOAKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.79
ALogP
2
HBA
2
HBD
41.1
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 C20H22N2O
MW 306.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.92

Literature References

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

Data from ChEMBL 36 via Core Engine