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Compound Detail

CHEMBL497466

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COc1cc(C)cc(C)c1-c1nc(C)c(NCC(C)(C)C)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497466
Phase Preclinical
Structure Type MOL
InChI Key ZGVNNHQVPVNBDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N3O2
MW 343.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
18672365 10.1016/j.bmcl.2008.07.063 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine