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Compound Detail

CHEMBL1187520

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O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187520
Phase Preclinical
Structure Type MOL
InChI Key VPPPKCMMIGGTCU-PMERELPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.8
MW (Da)
4.28
ALogP
7
HBA
4
HBD
119.3
PSA (Ų)
0.20
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 C30H46N2O6S
MW 562.77
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine