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Compound Detail

CHEMBL1178537

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CN1C2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2C(=O)OCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178537
Phase Preclinical
Structure Type MOL
InChI Key LLAHJYBITWOMNU-NHIVGREZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.87
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO4
MW 407.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine