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Compound Detail

CHEMBL1189393

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CN1CCN(c2cc(OC(=O)C(C)(C)C)c3nc4ccc(=[N+](C)C)cc-4oc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189393
Phase Preclinical
Structure Type MOL
InChI Key ZQIIWHSMUCTCQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
2.67
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N4O3+
MW 423.54
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine