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Compound Detail

CHEMBL3186476

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O=C(Nc1cc(N2CCSCC2)ncn1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3186476
Phase Preclinical
Structure Type MOL
InChI Key KACXHAJZHJLYPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.28
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4OS
MW 300.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.13

Data from ChEMBL 36 via Core Engine