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Compound Detail

CHEMBL1187570

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O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187570
Phase Preclinical
Structure Type MOL
InChI Key DHEUJCSWBYWXHR-LQFQNGICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

826.5
MW (Da)
5.71
ALogP
10
HBA
4
HBD
148.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H22Br2N6O4S2
MW 826.55
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness 1.38

Data from ChEMBL 36 via Core Engine