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Compound Detail

CHEMBL1203376

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Cl.NCCn1c(=O)[nH]c2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL1203376
Phase Preclinical
Structure Type MOL
InChI Key WPWOYFVVSZQSOD-UHFFFAOYSA-N
Parent Compound CHEMBL144442
Active Moiety CHEMBL144442
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
-0.35
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClN3O2
MW 241.68
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
1479590 10.1021/jm00104a017 Serotonin 2 (5-HT2) receptor 1
1479590 10.1021/jm00104a017 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine