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Compound Detail

CHEMBL5028006

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COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028006
Phase Preclinical
Structure Type MOL
InChI Key VGTSDAFHXDWTEF-XAXASBLLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.6
MW (Da)
0.54
ALogP
7
HBA
6
HBD
186.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N4O8S
MW 524.60
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine