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Compound Detail

CHEMBL1415282

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CSc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1415282
Phase Preclinical
Structure Type MOL
InChI Key IXJJIWFNYONXJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
3.44
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O2S
MW 370.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.70

Data from ChEMBL 36 via Core Engine