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Compound Detail

CHEMBL238877

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CCC(=O)N(c1ccccc1OC)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238877
Phase Preclinical
Structure Type MOL
InChI Key XXEHEVRQWFQRHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
5.27
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37N3O3
MW 487.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
17826096 10.1016/j.bmc.2007.08.034 D(2) dopamine receptor 1
17826096 10.1016/j.bmc.2007.08.034 D(3) dopamine receptor 1
17826096 10.1016/j.bmc.2007.08.034 Unchecked 1

Data from ChEMBL 36 via Core Engine