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Compound Detail

CHEMBL1197000

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N#CC1(c2ccccc2)CCN(CCCCn2cnc3c(O)nc(Nc4ccccc4)nc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197000
Phase Preclinical
Structure Type MOL
InChI Key DJSGKGHDUOHEJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.61
ALogP
8
HBA
2
HBD
102.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O
MW 467.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine