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Compound Detail

CHEMBL1190454

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N=C(N)c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(OC3CCNC3)cc1)n2CC(=O)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190454
Phase Preclinical
Structure Type MOL
InChI Key XYJFZXSMOULDOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

637.7
MW (Da)
4.06
ALogP
8
HBA
5
HBD
175.7
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H39N7O5
MW 637.74
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine