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Compound Detail

CHEMBL3605326

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O=C(CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)Nc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605326
Phase Preclinical
Structure Type MOL
InChI Key LRJUHEKHPZCRGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

463.4
MW (Da)
5.53
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.47
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 C22H24Cl2N4OS
MW 463.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
26278029 10.1016/j.bmc.2015.07.072 D(2) dopamine receptor 1
26278029 10.1016/j.bmc.2015.07.072 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine