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Compound Detail

CHEMBL1963433

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Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963433
Phase Preclinical
Structure Type MOL
InChI Key SIDMDBDAIBEQFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
5.86
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26Cl2N4S
MW 425.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine