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Compound Detail

CHEMBL1198124

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CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198124
Phase Preclinical
Structure Type MOL
InChI Key MSLWISSROZSMKP-CUYJMHBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.6
MW (Da)
5.44
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33NO3
MW 407.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.51

Data from ChEMBL 36 via Core Engine