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Compound Detail

CHEMBL1196287

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CCOC(=O)Cc1csc(NCc2cc([N+](=O)[O-])cc3nc(O)c(O)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196287
Phase Preclinical
Structure Type MOL
InChI Key SWARRCBJIPGIEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
2.12
ALogP
11
HBA
3
HBD
160.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5O6S
MW 405.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine