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Compound Detail

CHEMBL1994044

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CCc1nc2sc3c(c2c2nnc(S)n12)CCC(C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1994044
Phase Preclinical
Structure Type MOL
InChI Key VIDVXNZCSQTCLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.31
ALogP
6
HBA
1
HBD
43.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N4S2
MW 304.44
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.34

Data from ChEMBL 36 via Core Engine