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Compound Detail

CHEMBL1205988

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CCCn1c(=O)c2nc(-c3cc(S(=O)(=O)O)co3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205988
Phase Preclinical
Structure Type MOL
InChI Key SOLHJGJRNHPDDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
1.21
ALogP
8
HBA
2
HBD
140.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O6S
MW 382.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine