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Compound Detail

CHEMBL1178971

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CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178971
Phase Preclinical
Structure Type MOL
InChI Key JKDNPVDWERGGAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
4.34
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H41N2O4+
MW 457.64
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine