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Compound Detail

CHEMBL20596

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COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)C2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20596
Phase Preclinical
Structure Type MOL
InChI Key QZOGVIUKUHMTRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

623.7
MW (Da)
5.59
ALogP
9
HBA
0
HBD
73.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H38FN5O4
MW 623.73
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
12127533 10.1016/s0960-894x(02)00371-2 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine