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Compound Detail

CHEMBL1830901

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Cc1cc(C)nc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830901
Phase Preclinical
Structure Type MOL
InChI Key QFILSKCJZBACNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.78
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.76
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 C16H17N5S
MW 311.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.13

Literature References

PubMed DOI Target Context # Activities
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2
21688779 10.1021/jm200290z No relevant target 1
21688779 10.1021/jm200290z ADMET 1

Data from ChEMBL 36 via Core Engine