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Compound Detail

CHEMBL496776

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c1cn(-c2ccc(-c3[nH]c(-c4ccc(-n5ccnc5)cc4)c4c3CCCC4)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496776
Phase Preclinical
Structure Type MOL
InChI Key SCHHOPOWJPNXIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.60
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N5
MW 405.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
18023931 10.1016/j.ejmech.2007.09.028 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine