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Compound Detail

CHEMBL1789491

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C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789491
Phase Preclinical
Structure Type MOL
InChI Key ZTTKISAGSBXNKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.46
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.50
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 C24H25N2O2+
MW 373.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.25

Data from ChEMBL 36 via Core Engine