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Compound Detail

CHEMBL1191759

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C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=N)N)n(C)c5)n(C)c4)n(C)c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191759
Phase Preclinical
Structure Type MOL
InChI Key KAFQPRMWGVEVOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

744.6
MW (Da)
3.84
ALogP
9
HBA
8
HBD
225.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34BrN11O5
MW 744.61
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine