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Compound Detail

CHEMBL1789700

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C[N+]12CCCC[C@@H]1[C@H](CN1c3ccccc3Sc3ccccc31)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789700
Phase Preclinical
Structure Type MOL
InChI Key WHBJMLSMNQEBKY-BBRSIGJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.6
MW (Da)
5.70
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N2S+
MW 365.57
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine