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Compound Detail

CHEMBL5028119

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COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028119
Phase Preclinical
Structure Type MOL
InChI Key HXKZOMHQMAAYQD-KUHUBIRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
2.89
ALogP
5
HBA
4
HBD
94.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O4
MW 382.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine