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Compound Detail

CHEMBL1186557

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CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186557
Phase Preclinical
Structure Type MOL
InChI Key NINMWSKMEONZOK-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
3.09
ALogP
7
HBA
3
HBD
117.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O5S
MW 497.62
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine