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Compound Detail

CHEMBL1185969

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NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185969
Phase Preclinical
Structure Type MOL
InChI Key MTLUJYLGPUXELO-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
2.83
ALogP
7
HBA
5
HBD
151.0
PSA (Ų)
0.12
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H37N3O6S
MW 507.65
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine