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Compound Detail

CHEMBL1204242

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CCCNC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204242
Phase Preclinical
Structure Type MOL
InChI Key VITXSQWHLQHSQU-UHFFFAOYSA-N
Parent Compound CHEMBL293048
Active Moiety CHEMBL293048
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
1.56
ALogP
5
HBA
1
HBD
76.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38ClN5O3
MW 492.06
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
11170628 10.1021/jm000929u 5-hydroxytryptamine receptor 1A 1
11170628 10.1021/jm000929u Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine