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Compound Detail

CHEMBL3299050

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Cc1ccc(-c2cc3c(NCC(=O)O)ncnc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3299050
Phase Preclinical
Structure Type MOL
InChI Key UJTZHUJTAFPTGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.77
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 C15H13N3O2S
MW 299.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
24911527 10.1021/jm500629e Farnesyl pyrophosphate synthase 3
24911527 10.1021/jm500629e ADMET 1

Data from ChEMBL 36 via Core Engine