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Compound Detail

CHEMBL4279003

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CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cn([C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)nn5)CC4)cccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279003
Phase Preclinical
Structure Type MOL
InChI Key MNUIAJNCYZIPPI-IOLXHVLYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

577.7
MW (Da)
1.41
ALogP
11
HBA
5
HBD
156.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39N7O5
MW 577.69
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
30108717 10.1039/C7MD00320J Gonadotropin-releasing hormone receptor 2

Data from ChEMBL 36 via Core Engine