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Compound Detail

CHEMBL1091901

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CCc1nc(CN2CCN(c3cccc4nc(-c5ccc(C(C)(C)C)cc5)oc34)CC2)c(C)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091901
Phase Preclinical
Structure Type MOL
InChI Key QPHGALSLNBFZHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
5.71
ALogP
5
HBA
1
HBD
61.2
PSA (Ų)
0.42
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 C28H35N5O
MW 457.62
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
20236823 10.1016/j.bmcl.2010.02.099 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine