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Compound Detail

CHEMBL1191241

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C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191241
Phase Preclinical
Structure Type MOL
InChI Key KTUFQEUUHRRUEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

709.6
MW (Da)
2.10
ALogP
11
HBA
7
HBD
228.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33BrN12O5
MW 709.57
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine