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Compound Detail

CHEMBL4170444

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Cc1cccc(C(=O)NCCCCNCCCNC(=O)c2cccc(C)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170444
Phase Preclinical
Structure Type MOL
InChI Key VSHYAVKSKHVAJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.01
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O2
MW 383.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
29297684 10.1021/acs.jnatprod.7b00876 Leishmania infantum 1
29297684 10.1021/acs.jnatprod.7b00876 Leishmania amazonensis 1
29297684 10.1021/acs.jnatprod.7b00876 Trypanosoma cruzi 1
29297684 10.1021/acs.jnatprod.7b00876 Plasmodium falciparum 1
29297684 10.1021/acs.jnatprod.7b00876 HepG2 1
29297684 10.1021/acs.jnatprod.7b00876 Unchecked 1
29297684 10.1021/acs.jnatprod.7b00876 BMDM 1

Data from ChEMBL 36 via Core Engine