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Compound Detail

CHEMBL1195903

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CNC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195903
Phase Preclinical
Structure Type MOL
InChI Key JJUGCNDPURDBCS-MDWZMJQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

674.4
MW (Da)
5.83
ALogP
6
HBA
3
HBD
117.1
PSA (Ų)
0.19
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 -1.42

Data from ChEMBL 36 via Core Engine