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Compound Detail

CHEMBL1195904

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Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C#N)c4)c3Cl)cccn2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195904
Phase Preclinical
Structure Type MOL
InChI Key PPTGAAIAJSLPKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.3
MW (Da)
5.95
ALogP
6
HBA
2
HBD
111.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21BrCl2N6O3
MW 616.30
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -2.03

Data from ChEMBL 36 via Core Engine