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Compound Detail

CHEMBL11222

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CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(O)ccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11222
Phase Preclinical
Structure Type MOL
InChI Key ZBNMMPMSNVYHTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
3.98
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O2
MW 368.86
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80290-5 Homo sapiens 1
- 10.1016/S0960-894X(00)80290-5 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine