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Compound Detail

CHEMBL1207043

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O=C(/C=C/c1c[nH]cn1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207043
Phase Preclinical
Structure Type MOL
InChI Key XXIOXWXGRAPQKC-VWFREUPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
-0.96
ALogP
5
HBA
2
HBD
123.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4O5S
MW 312.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine