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Compound Detail

CHEMBL1188242

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CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccc(N=[N+]=[N-])cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188242
Phase Preclinical
Structure Type MOL
InChI Key PTFDOGZAZXFSFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
5.10
ALogP
4
HBA
0
HBD
81.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N5O2
MW 421.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine