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Compound Detail

CHEMBL536348

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

Basic Information

ChEMBL ID CHEMBL536348
Phase Preclinical
Structure Type MOL
InChI Key NXGXTBDKDGPUNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

659.1
MW (Da)
10.68
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H70N6
MW 659.06
Aromatic Rings 2
Heavy Atoms 48
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine