PPL-100

Search structure


Synonyms:	MK-8122 MX-100 Pl-100 PL-100 PL 100 (PHARMACEUTICAL) Ppl-100 PPL 100 Tmb-607 TMB-607
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	JRI5GOF0K0

Structure


InChI Key	QAHLFXYLXBBCPS-IZEXYCQBSA-N
Smile	COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C33H44N4O6S
Molecular Weight	624.8
AlogP	4.12
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	151.06
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	44.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily	-	1	-	-	-
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily	-	1	-	0	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
HIV Infections	1	D015658	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL168640
DrugBank	DB05961
FDA SRS	JRI5GOF0K0
PDB	A00
PubChem	513956
SureChEMBL	SCHEMBL757685
ZINC	ZINC000003925398

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