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Compound Detail

CHEMBL535070

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N=C(NC1CCCCCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCCCCC4)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535070
Phase Preclinical
Structure Type MOL
InChI Key KFTSDPXWTBQCAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

542.8
MW (Da)
7.07
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H50N6
MW 542.82
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine