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Compound Detail

CHEMBL1199344

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N=C(N)c1ccc(-c2cnc(-c3ccc(C(=N)N)cn3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199344
Phase Preclinical
Structure Type MOL
InChI Key RDPUBNABSKBHTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.44
ALogP
5
HBA
4
HBD
125.5
PSA (Ų)
0.43
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 C16H14N6S
MW 322.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine