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Compound Detail

CHEMBL372073

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COc1ccc(N2CCN(CCn3c(=O)[nH]c4cc(-c5ccccc5)[nH]c4c3=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372073
Phase Preclinical
Structure Type MOL
InChI Key ZKPMOYKVGPZQTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.52
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O3
MW 445.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
15801833 10.1021/jm040870h Adrenergic receptor alpha-1 1
15801833 10.1021/jm040870h 5-hydroxytryptamine receptor 1A 1
15801833 10.1021/jm040870h D(1A) dopamine receptor 1
15801833 10.1021/jm040870h D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine