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Compound Detail

CHEMBL2079037

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CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL2079037
Phase Preclinical
Structure Type MOL
InChI Key YHLJEWZZOJLRNJ-CJAFUUPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

945.2
MW (Da)
4.87
ALogP
10
HBA
9
HBD
267.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H76N8O9
MW 945.22
Aromatic Rings 3
Heavy Atoms 68
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine