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Compound Detail

CHEMBL4300795

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O=c1[nH]c2c(c(=O)n1O)C1CCN(Cc3ccccc3)CC1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300795
Phase Preclinical
Structure Type MOL
InChI Key YWQBEMXVRQTNOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
1.24
ALogP
6
HBA
2
HBD
78.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O3S
MW 331.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine