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Compound Detail

CHEMBL1197155

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COc1cc2c(cc1OC)/C(=N\N=C(N)N)C(Sc1nc3ccccc3[nH]1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197155
Phase Preclinical
Structure Type MOL
InChI Key LZRZLGBUCBNGAL-JJIBRWJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
2.27
ALogP
6
HBA
3
HBD
123.9
PSA (Ų)
0.35
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 C19H20N6O2S
MW 396.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine