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Compound Detail

CHEMBL1180559

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CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180559
Phase Preclinical
Structure Type MOL
InChI Key ADUIJXDMGJPFBW-CKXMCULTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

614.8
MW (Da)
2.72
ALogP
11
HBA
5
HBD
149.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42N8O4
MW 614.75
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine