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Compound Detail

CHEMBL1204772

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CC(C)CC(CP(=O)(O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL1204772
Phase Preclinical
Structure Type MOL
InChI Key JLIASMAQRRKWRZ-BCUKMMHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

890.0
MW (Da)
6.07
ALogP
8
HBA
7
HBD
233.1
PSA (Ų)
0.03
QED
3
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H56N5O10PS
MW 890.01
Aromatic Rings 5
Heavy Atoms 62
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine