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Compound Detail

CHEMBL1203223

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Cl.c1ccc2c(c1)NSC2N1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1203223
Phase Preclinical
Structure Type MOL
InChI Key UAXGSDWDGBAQRN-UHFFFAOYSA-N
Parent Compound CHEMBL421263
Active Moiety CHEMBL421263
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.66
ALogP
4
HBA
2
HBD
27.3
PSA (Ų)
0.71
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 C11H16ClN3S
MW 257.79
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
2869146 10.1021/jm00153a010 D(2) dopamine receptor 1
2869146 10.1021/jm00153a010 Adrenergic receptor alpha-1 1
2869146 10.1021/jm00153a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine