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Compound Detail

CHEMBL2030619

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N#Cc1c(C2CCCCC2)nc(SCC(=O)Nc2ccccc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030619
Phase Preclinical
Structure Type MOL
InChI Key ZHBWZQXEWAIZOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.42
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.62
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 C19H20N4O2S
MW 368.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
22607683 10.1016/j.bmcl.2012.04.082 Rap guanine nucleotide exchange factor 4 2

Data from ChEMBL 36 via Core Engine