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Compound Detail

CHEMBL1184282

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CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(C[n+]3csc(C)c3)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184282
Phase Preclinical
Structure Type MOL
InChI Key VWVWJWNRPOMNNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

579.9
MW (Da)
9.03
ALogP
4
HBA
0
HBD
42.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H51N2O3S+
MW 579.87
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine