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Compound Detail

CHEMBL322180

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Nc1nc(C2=CCCN(CCc3ccccc3)C2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322180
Phase Preclinical
Structure Type MOL
InChI Key VUQQHXCBPFASSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.06
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.94
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 C16H19N3S
MW 285.42
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine