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Compound Detail

CHEMBL3990415

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CNC(=O)NCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990415
Phase Preclinical
Structure Type MOL
InChI Key FXXHLJTZPAOXKB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.27
ALogP
3
HBA
4
HBD
99.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N5O3+
MW 420.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine