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Compound Detail

CHEMBL446587

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CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446587
Phase Preclinical
Structure Type MOL
InChI Key GSVREIJRMHEFJP-JDXGNMNLSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

577.8
MW (Da)
4.61
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45N4O5+
MW 577.75
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine