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Compound Detail

CHEMBL3215543

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Cl.Cl.Nc1nc2c(s1)C[C@H](N)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3215543
Phase Preclinical
Structure Type MOL
InChI Key RYYXDZDBXNUPOG-RZFWHQLPSA-N
Parent Compound CHEMBL1190822
Active Moiety CHEMBL1190822
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
0.54
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13Cl2N3S
MW 242.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
3820220 10.1021/jm00386a009 Rattus norvegicus 4
3820220 10.1021/jm00386a009 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine