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Compound Detail

CHEMBL1189477

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CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189477
Phase Preclinical
Structure Type MOL
InChI Key MHBQXUPSZPCWGB-NZQKXSOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.19
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O3
MW 428.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine