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Compound Detail

CHEMBL2365414

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C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)CNC(=O)CN1C[C@@H]2C

Basic Information

ChEMBL ID CHEMBL2365414
Phase Preclinical
Structure Type MOL
InChI Key IZMQFNBELARFJP-ZSSLFURESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

836.0
MW (Da)
2.01
ALogP
9
HBA
7
HBD
218.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H53N9O6S
MW 836.03
Aromatic Rings 4
Heavy Atoms 60
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine