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Compound Detail

CHEMBL1624950

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C[n+]1c2n(c3ccccc31)N=C(c1ccc(-c3ccccc3)cc1)CS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1624950
Phase Preclinical
Structure Type MOL
InChI Key QBOSVRUWNQNHSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.49
ALogP
3
HBA
0
HBD
21.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N3S+
MW 356.47
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine