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Compound Detail

CHEMBL53727

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O=C(NCCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53727
Phase Preclinical
Structure Type MOL
InChI Key WSSNDGYOALTBKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.7
MW (Da)
7.00
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N3O
MW 479.67
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
10969972 10.1016/s0960-894x(00)00347-4 C-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine