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Compound Detail

CHEMBL153263

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Cn1c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1CN1CCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153263
Phase Preclinical
Structure Type MOL
InChI Key IWXPRWKKFNXNQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
2.38
ALogP
6
HBA
0
HBD
74.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N5O3
MW 397.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
1346653 10.1021/jm00081a018 Rattus norvegicus 1
1346653 10.1021/jm00081a018 D(2) dopamine receptor 1
1346653 10.1021/jm00081a018 Serotonin 1 (5-HT1) receptor 1
1346653 10.1021/jm00081a018 Serotonin 2 (5-HT2) receptor 1
1346653 10.1021/jm00081a018 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine