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Compound Detail

CHEMBL72735

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c1ccc(-c2nc(NCCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72735
Phase Preclinical
Structure Type MOL
InChI Key HQPGYRVHOIKOIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
6.93
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N3
MW 415.54
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
12127543 10.1016/s0960-894x(02)00348-7 Sodium-dependent dopamine transporter 1
12127543 10.1016/s0960-894x(02)00348-7 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine