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Compound Detail

CHEMBL1184044

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C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCC(O)CC4)ccc2-3)CCC(O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184044
Phase Preclinical
Structure Type MOL
InChI Key KCEPOYBIDNWRAN-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
2.76
ALogP
5
HBA
4
HBD
115.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H42N4O5+2
MW 550.70
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine