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Compound Detail

CHEMBL531282

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O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL531282
Phase Preclinical
Structure Type MOL
InChI Key OIEODRXQXFLPRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.32
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3OS
MW 377.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.14

Data from ChEMBL 36 via Core Engine