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Compound Detail

CHEMBL2382421

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O=C(CCCc1ccccc1)Nc1nc2ccc(Cl)cc2c(=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2382421
Phase Preclinical
Structure Type MOL
InChI Key RKCCGKZSUPERQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
4.27
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.74
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 C18H15ClN2O2S
MW 358.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
23631427 10.1021/jm400336x Amine oxidase [flavin-containing] B 2
23631427 10.1021/jm400336x Adenosine receptor A2a 2
23631427 10.1021/jm400336x Adenosine receptor A1 2
23631427 10.1021/jm400336x Unchecked 1
23631427 10.1021/jm400336x Adenosine receptor A3 1
23631427 10.1021/jm400336x Adenosine receptor A2b 1

Data from ChEMBL 36 via Core Engine