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Compound Detail

CHEMBL3763629

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Cl.O=C(NCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763629
Phase Preclinical
Structure Type MOL
InChI Key LXUIDLTYTUXEKT-UHFFFAOYSA-N
Parent Compound CHEMBL3765892
Active Moiety CHEMBL3765892
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

449.0
MW (Da)
4.26
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30Cl2N4O
MW 485.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
26820556 10.1016/j.ejmech.2016.01.021 5-hydroxytryptamine receptor 1A 1
26820556 10.1016/j.ejmech.2016.01.021 5-hydroxytryptamine receptor 2A 1
26820556 10.1016/j.ejmech.2016.01.021 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine