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Compound Detail

CHEMBL1207049

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Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207049
Phase Preclinical
Structure Type MOL
InChI Key OFKAOAFYMKCUKW-APPZFPTMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
-1.81
ALogP
9
HBA
1
HBD
142.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N5O6S2
MW 389.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine