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Compound Detail

CHEMBL5597787

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Oc1c(-c2nnc(N[C@@H]3CCOC3)c3c2C2CCC3CC2)ccc2occc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597787
Phase Preclinical
Structure Type MOL
InChI Key ADIAAHKZIOVUBY-JXQTWKCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.55
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
39169676 10.1021/acs.jmedchem.4c01341 Unchecked 3

Data from ChEMBL 36 via Core Engine