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Compound Detail

CHEMBL1188463

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N=C(N)c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(OC3CCN(C(=N)N)CC3)cc1)n2CC(=O)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188463
Phase Preclinical
Structure Type MOL
InChI Key PSEDNLMKRNJBSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

693.8
MW (Da)
4.05
ALogP
8
HBA
6
HBD
216.7
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H43N9O5
MW 693.81
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine