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Compound Detail

CHEMBL75691

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Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75691
Phase Preclinical
Structure Type MOL
InChI Key GELALLNTKKLQLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.8
MW (Da)
3.20
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H16ClN3
MW 261.76
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
9240352 10.1021/jm970111h D(2) dopamine receptor 1
9240352 10.1021/jm970111h D(3) dopamine receptor 1
9240352 10.1021/jm970111h D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine