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Compound Detail

CHEMBL4449331

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O=C(O)c1cc(NC(=O)c2cccnc2)cc(-c2ccc(C3CCNCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449331
Phase Preclinical
Structure Type MOL
InChI Key ORZUNQGLLBDCQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.17
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O3
MW 401.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
31376563 10.1016/j.ejmech.2019.111564 P2Y purinoceptor 14 2

Data from ChEMBL 36 via Core Engine