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Compound Detail

CHEMBL1188934

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O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188934
Phase Preclinical
Structure Type MOL
InChI Key SMYWBRTXSHUZCE-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.9
MW (Da)
4.46
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClNO5
MW 441.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine