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Compound Detail

CHEMBL4072960

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Cn1c(=O)sc2cc(N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072960
Phase Preclinical
Structure Type MOL
InChI Key STDGBEKVJJKVNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.18
ALogP
4
HBA
1
HBD
48.0
PSA (Ų)
0.62
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 C8H8N2OS
MW 180.23
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
29155580 10.1021/acs.jmedchem.7b01372 CREB-binding protein 2
29155580 10.1021/acs.jmedchem.7b01372 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine