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Compound Detail

CHEMBL1191161

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CC(C)(C)C1CCc2sc3c(c2C1)CN1CC(=O)NC1=N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191161
Phase Preclinical
Structure Type MOL
InChI Key SGVWDCYABOAFIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.83
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3OS
MW 303.43
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine