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Compound Detail

CHEMBL2220085

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CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1

Basic Information

ChEMBL ID CHEMBL2220085
Phase Preclinical
Structure Type MOL
InChI Key MGHQYBRCQLTBRN-PWRODBHTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.1
MW (Da)
3.31
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H41ClN4O3
MW 493.09
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine