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Compound Detail

CHEMBL1194652

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CNCC(=O)NCc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1

Basic Information

ChEMBL ID CHEMBL1194652
Phase Preclinical
Structure Type MOL
InChI Key IDFIPXKGKCZBFH-OADFIUQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

805.8
MW (Da)
4.16
ALogP
10
HBA
5
HBD
181.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H54Cl2N4O9
MW 805.80
Aromatic Rings 2
Heavy Atoms 55
NP-Likeness 0.95

Data from ChEMBL 36 via Core Engine