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Compound Detail

CHEMBL1178319

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C[N+](C)(C)CCNC(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3C1=O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178319
Phase Preclinical
Structure Type MOL
InChI Key UWNPSYAWZHBCNM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.09
ALogP
4
HBA
3
HBD
87.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N4O3+
MW 391.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine