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Compound Detail

CHEMBL246232

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NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246232
Phase Preclinical
Structure Type MOL
InChI Key XMPZUZYWPNRLHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.9
MW (Da)
4.31
ALogP
2
HBA
2
HBD
45.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3
MW 353.90
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17095222 10.1016/j.bmcl.2006.10.076 D(2) dopamine receptor 2
17095222 10.1016/j.bmcl.2006.10.076 D(3) dopamine receptor 2
17095222 10.1016/j.bmcl.2006.10.076 D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine