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Compound Detail

CHEMBL1391188

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CN=C(S)N1N=C(c2ccc(C)cc2)CC1c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1391188
Phase Preclinical
Structure Type MOL
InChI Key QFBBKUKXNCERIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
4.82
ALogP
2
HBA
1
HBD
28.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BrN3S
MW 388.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine