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Compound Detail

CHEMBL1204798

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CC(C)C(CP(=O)(O)C(Cc1ccccc1)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 CHEMBL1204798
Phase Preclinical
Structure Type MOL
InChI Key YYGKPOQICKUNID-ZVSUDTRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

825.9
MW (Da)
4.52
ALogP
8
HBA
7
HBD
233.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H52N5O10PS
MW 825.92
Aromatic Rings 4
Heavy Atoms 57
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine