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Compound Detail

CHEMBL1194305

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COc1ccc2[nH]c(SC3Cc4ccc(F)cc4/C3=N\N=C(N)N)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194305
Phase Preclinical
Structure Type MOL
InChI Key CANWRIYMIQAHOD-LFVJCYFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.41
ALogP
5
HBA
3
HBD
114.7
PSA (Ų)
0.36
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 C18H17FN6OS
MW 384.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine