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Compound Detail

CHEMBL4596813

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NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596813
Phase Preclinical
Structure Type MOL
InChI Key YRNZELXLSOHKFP-UVTDQMKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.69
ALogP
7
HBA
2
HBD
105.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3S2
MW 400.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.87

Data from ChEMBL 36 via Core Engine