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Compound Detail

CHEMBL3604285

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O=C(NCc1ccccc1)N(Cc1cccc(C#Cc2ccccc2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604285
Phase Preclinical
Structure Type MOL
InChI Key JBFJRTPVUFETBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
6.00
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N2O
MW 416.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
26088337 10.1016/j.bmc.2015.05.045 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine