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Compound Detail

CHEMBL290199

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Clc1cccc(NC2=NCCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290199
Phase Preclinical
Structure Type MOL
InChI Key FHEDEBIQWKVZRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

195.7
MW (Da)
1.71
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10ClN3
MW 195.65
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
11412989 10.1016/s0960-894x(01)00291-8 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine