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Compound Detail

CHEMBL24319

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CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)CCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24319
Phase Preclinical
Structure Type MOL
InChI Key DMFOCHQSMRMIAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

573.7
MW (Da)
4.22
ALogP
8
HBA
1
HBD
125.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N9O2
MW 573.66
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine