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Compound Detail

CHEMBL1390912

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CCn1c(=O)c([N+](=O)[O-])c(NCc2ccc3c(c2)OCO3)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1390912
Phase Preclinical
Structure Type MOL
InChI Key VPWMNZGJEYIAFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.27
ALogP
7
HBA
1
HBD
95.6
PSA (Ų)
0.55
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 C19H17N3O5
MW 367.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine