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Compound Detail

CHEMBL1194016

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O=C(O)C1=CCCN(CCOC=C(c2ccccc2Cl)c2ccccc2Cl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194016
Phase Preclinical
Structure Type MOL
InChI Key HIJUQTCCINDZAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.3
MW (Da)
5.12
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2NO3
MW 418.32
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine