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Compound Detail

CHEMBL4595366

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N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)c4ccccc4)C(=O)N2)CC3)cc1

Basic Information

ChEMBL ID CHEMBL4595366
Phase Preclinical
Structure Type MOL
InChI Key XJEHQBNZCWDDLU-PQQNNWGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

808.0
MW (Da)
2.19
ALogP
9
HBA
7
HBD
218.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H49N9O6S
MW 807.98
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine