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Compound Detail

CHEMBL1197993

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CCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197993
Phase Preclinical
Structure Type MOL
InChI Key BDFXCUHFXTXXJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
5.49
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29Cl2NO2
MW 422.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine