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Compound Detail

CHEMBL169785

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C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL169785
Phase Preclinical
Structure Type MOL
InChI Key MHXPDCHRBQBTCI-QKDODKLFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

734.7
MW (Da)
1.03
ALogP
11
HBA
8
HBD
285.8
PSA (Ų)
0.08
QED
3
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38N6O12
MW 734.72
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine