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Compound Detail

CHEMBL4458329

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COc1cc2nc(C3CC3)nc(C3CCN(c4ccccc4OC)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458329
Phase Preclinical
Structure Type MOL
InChI Key XXJBIZCGMPWYCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.92
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O3
MW 419.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
31390201 10.1021/acs.jmedchem.9b00340 Neurotensin receptor type 1 1
31390201 10.1021/acs.jmedchem.9b00340 Neurotensin receptor type 2 1

Data from ChEMBL 36 via Core Engine