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Compound Detail

CHEMBL1179367

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Cc1c(-c2ccccc2)c(SCCN(C)C)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179367
Phase Preclinical
Structure Type MOL
InChI Key RAIZDKNMDUKJAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
4.86
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.62
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 C20H22N2S
MW 322.48
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine