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Compound Detail

CHEMBL1178597

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C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178597
Phase Preclinical
Structure Type MOL
InChI Key GAWADCCAEQQLNX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.5
MW (Da)
7.32
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.43
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37Cl2N2O2+
MW 516.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine