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Compound Detail

CHEMBL2030618

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

Basic Information

ChEMBL ID CHEMBL2030618
Phase Preclinical
Structure Type MOL
InChI Key SMSRANLRYFGDLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
1.87
ALogP
5
HBA
2
HBD
106.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O3S
MW 293.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.43

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