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Compound Detail

CHEMBL2079361

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Clc1ccc2c(NCCCNCc3ccc(-c4ccc(-c5ccc(CNCCCNc6ccnc7cc(Cl)ccc67)cc5)s4)cc3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079361
Phase Preclinical
Structure Type MOL
InChI Key PNSWLESSSAWXHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

731.8
MW (Da)
10.67
ALogP
7
HBA
4
HBD
73.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H40Cl2N6S
MW 731.80
Aromatic Rings 7
Heavy Atoms 51
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine