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Compound Detail

CHEMBL449640

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CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449640
Phase Preclinical
Structure Type MOL
InChI Key NMLLDSGALUOMAS-IOMGPJSDSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

642.6
MW (Da)
5.17
ALogP
6
HBA
3
HBD
115.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H35Cl2N4O6+
MW 642.56
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine