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Compound Detail

CHEMBL1195645

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C=C(Br)C(=O)Nc1ccc2c(c1)cc(C(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)c1)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195645
Phase Preclinical
Structure Type MOL
InChI Key SIMUSWWQDQZUOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

636.5
MW (Da)
3.26
ALogP
8
HBA
6
HBD
181.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30BrN9O4
MW 636.51
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine