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Compound Detail

CHEMBL3039691

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N=C(N)c1cccc(COc2ccc(C(=N)N)cc2[N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039691
Phase Preclinical
Structure Type MOL
InChI Key MOJFOHWALHJYPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
1.74
ALogP
5
HBA
4
HBD
152.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O3
MW 313.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine