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Compound Detail

CHEMBL1963347

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O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963347
Phase Preclinical
Structure Type MOL
InChI Key KTSPNBFUARCTGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.46
ALogP
5
HBA
2
HBD
96.2
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5O2S
MW 401.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine