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Compound Detail

CHEMBL3580925

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CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580925
Phase Preclinical
Structure Type MOL
InChI Key DMYOGSLQJSGABR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.24
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4OS
MW 302.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
26023814 10.1021/acs.jmedchem.5b00245 No relevant target 3
26023814 10.1021/acs.jmedchem.5b00245 Melatonin receptor type 1A 1
26023814 10.1021/acs.jmedchem.5b00245 Melatonin receptor type 1B 1
26023814 10.1021/acs.jmedchem.5b00245 Unchecked 1

Data from ChEMBL 36 via Core Engine