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Compound Detail

CHEMBL1196706

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COc1cc2c(c(OC)c1OC)CC(Sc1nc3cc([N+](=O)[O-])ccc3[nH]1)/C2=N/N=C(N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196706
Phase Preclinical
Structure Type MOL
InChI Key WJRRSOZAYFGRDU-PCLIKHOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
2.19
ALogP
9
HBA
3
HBD
176.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7O5S
MW 471.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine