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Compound Detail

CHEMBL3546275

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CC(C)c1ccc(C(=O)c2ccco2)c(SCCCCCCCCN(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546275
Phase Preclinical
Structure Type MOL
InChI Key SMSADWUAETZEMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
6.02
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N2O2S
MW 402.60
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine