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Compound Detail

CHEMBL1189828

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Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)cccn2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189828
Phase Preclinical
Structure Type MOL
InChI Key RACMJBORUHFQGO-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

674.4
MW (Da)
5.18
ALogP
7
HBA
1
HBD
109.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27BrCl2N6O4
MW 674.38
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine