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Compound Detail

CHEMBL1188795

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O=C(c1ccsc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188795
Phase Preclinical
Structure Type MOL
InChI Key DVCIZELVXOAPOP-TUUVXOQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.5
MW (Da)
2.84
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O2S
MW 332.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine