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Compound Detail

CHEMBL1204249

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Cl.Nc1cccc(N2CCN(CCCN3C(=O)C4CCCN4C3=O)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204249
Phase Preclinical
Structure Type MOL
InChI Key NPNOMMWTZDDJIR-UHFFFAOYSA-N
Parent Compound CHEMBL59950
Active Moiety CHEMBL59950
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
1.21
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28ClN5O2
MW 393.92
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.25

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