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Compound Detail

CHEMBL4116172

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[N-]=[N+]=NCCSSCCn1cc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116172
Phase Preclinical
Structure Type MOL
InChI Key LGRJUDYDLTXAOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.1
MW (Da)
4.57
ALogP
9
HBA
1
HBD
120.0
PSA (Ų)
0.10
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28ClN7O2S2
MW 510.09
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine