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Compound Detail

CHEMBL431750

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O=C1CC2(CCCC2)CC(=O)N1CCCCCN1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431750
Phase Preclinical
Structure Type MOL
InChI Key PENGTVYPTDDWDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
2.48
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N5O2
MW 399.54
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
6131130 10.1021/jm00356a014 Dopamine receptor 1
6131130 10.1021/jm00356a014 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine